Vitas-M small molecule compound

(1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-[(3-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

Catalog ID
STL054496
SMILES Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1cccc(c1)[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 C32H29N3O5 MW 535.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N3O5/c1-18-12-14-24-19(16-18)13-15-25-32(22-10-5-6-11-23(22)33-30(32)38)26(27(34(24)25)29(37)31(2,3)4)28(36)20-8-7-9-21(17-20)35(39)40/h5-17,25-27H,1-4H3,(H,33,38)/t25-,26+,27+,32-/m1/s1
InChIKey
WMZUMKLGYFTYLW-JVPIYLDOSA-N
Synonyms
1177516-93-6
(1S2S3R3aR)1(22dimethylpropanoyl)7methyl2((3nitrophenyl)carbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
(1S2S3R3aR)1(22dimethylpropanoyl)7methyl2(3nitrobenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
(1S2S3R3aR)7methyl2(3nitrobenzoyl)1pivaloyl23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
1177516936
CC1=CC2=C(C=C1)N3C(C=C2)C4(C(C3C(=O)C(C)(C)C)C(=O)C5=CC(=CC=C5)(N+)(=O)(O))C6=CC=CC=C6NC4=O
Cc1ccc2c(c1)C=C(C@H)1N2(C@H)(C(=O)C(C)(C)C)(C@H)((C@@)21C(=O)Nc1c2cccc1)C(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC32H29N3O5c11812142419(1618)13152532(2210561123(22)3330(32)38)26(27(34(24)25)29(37)31(23)4)28(36)2087921(1720)35(39)40h5172527H14H3(H3338)t2526+27+32m1s1
MFCD18249610
ZINC000101095159
ZINC101095159

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Available files

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