Vitas-M small molecule compound
(3a'S,6a'R)-7-chloro-3'-(3,4-dihydroxybenzyl)-5'-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Catalog ID
STL530356
SMILES COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2(NC3Cc3ccc(c(c3)O)O)C(=O)Nc3c2cc(C)cc3Cl)ccc1OC
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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 C31H30ClN3O7 MW 592.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30ClN3O7/c1-15-10-18-27(19(32)11-15)33-30(40)31(18)26-25(20(34-31)12-17-4-6-21(36)22(37)13-17)28(38)35(29(26)39)9-8-16-5-7-23(41-2)24(14-16)42-3/h4-7,10-11,13-14,20,25-26,34,36-37H,8-9,12H2,1-3H3,(H,33,40)/t20?,25-,26+,31?/m1/s1InChIKey
SJXHNPWXFTVMHO-VSULNCCESA-NSynonyms
956950-14-4(3~(a)~(R)6~(a)~(S))7chloro1((34dihydroxyphenyl)methyl)5(2(34dimethoxyphenyl)ethyl)5methylspiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)7chloro3(34dihydroxybenzyl)5(2(34dimethoxyphenyl)ethyl)5methyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)7chloro3(34dihydroxybenzyl)5(34dimethoxyphenethyl)5methyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16405448
956950144
COc1cc(CCN2C(=O)(C@H)3(C@@H)(C2=O)C2(NC3Cc3ccc(c(c3)O)O)C(=O)Nc3c2cc(C)cc3Cl)ccc1OC
InChI=1SC31H30ClN3O7c115101827(19(32)1115)3330(40)31(18)2625(20(3431)12174621(36)22(37)1317)28(38)35(29(26)39)98165723(412)24(1416)423h4710111314202526343637H8912H213H3(H3340)t20?2526+31?m1s1
MFCD07636968
ZINC000070704615
ZINC000070704625
Check stock
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