Vitas-M small molecule compound

[1'-(4-{[8-(hydroxymethyl)-3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indol]-1'(3'H)-yl]methyl}benzyl)-3',3'-dimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indol]-8-yl]methanol

Catalog ID
STK368440
SMILES OCc1cc(cc2c1OC1(C=C2)N(Cc2ccc(cc2)CN2c3ccccc3C(C32C=Cc2c(O3)c(CO)cc(c2)[N+](=O)[O-])(C)C)c2c(C1(C)C)cccc2)[N+](=O)[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C46H42N4O8 MW 778.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H42N4O8/c1-43(2)37-9-5-7-11-39(37)47(45(43)19-17-31-21-35(49(53)54)23-33(27-51)41(31)57-45)25-29-13-15-30(16-14-29)26-48-40-12-8-6-10-38(40)44(3,4)46(48)20-18-32-22-36(50(55)56)24-34(28-52)42(32)58-46/h5-24,51-52H,25-28H2,1-4H3
InChIKey
KVMWYTUERFDHIP-UHFFFAOYSA-N
Synonyms

(1((4((8(HYDROXYMETHYL)33DIMETHYL6NITROSPIRO(CHROMENE22INDOLE)1YL)METHYL)PHENYL)METHYL)33DIMETHYL6NITROSPIRO(CHROMENE22INDOLE)8YL)METHANOL
(1(4((8(hydroxymethyl)33dimethyl6nitrospiro(chromene22indol)1(3H)yl)methyl)benzyl)33dimethyl6nitro13dihydrospiro(chromene22indol)8yl)methanol
1((4(8(hydroxymethyl)33dimethyl6nitro13dihydrospiro(chromene22indole)1ylmethyl)phenyl)methyl)33dimethyl6nitro13dihydrospiro(chromene22indole)8ylmethanol
CC1(C2=CC=CC=C2N(C13C=CC4=CC(=CC(=C4O3)CO)(N+)(=O)(O))CC5=CC=C(C=C5)CN6C7=CC=CC=C7C(C68C=CC9=CC(=CC(=C9O8)CO)(N+)(=O)(O))(C)C)C
InChI=1SC46H42N4O8c143(2)379571139(37)47(45(43)1917312135(49(53)54)2333(2751)41(31)5745)2529131530(161429)26484012861038(40)44(34)46(48)2018322236(50(55)56)2434(2852)42(32)5846h5245152H2528H214H3
MFCD00309258
OCc1cc(cc2c1OC1(C=C2)N(Cc2ccc(cc2)CN2c3ccccc3C(C32C=Cc2c(O3)c(CO)cc(c2)(N+)(=O)(O))(C)C)c2c(C1(C)C)cccc2)(N+)(=O)(O)
ZINC000150391199
ZINC000224779827

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Available files

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