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Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-3'-[(4-nitrophenyl)carbonyl]-2'-(phenylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK582957
SMILES O=C([C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1)cccc3)c1ccc(cc1)[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 C33H23N3O5 MW 541.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H23N3O5/c37-29(21-9-2-1-3-10-21)27-28(30(38)22-14-16-23(17-15-22)36(40)41)35-19-18-20-8-4-5-11-24(20)31(35)33(27)25-12-6-7-13-26(25)34-32(33)39/h1-19,27-28,31H,(H,34,39)/t27-,28-,31+,33+/m0/s1
InChIKey
BTNNBBAJKPBJBU-TVNXZVQQSA-N
Synonyms
1177565-42-2
(1S2S3S10bR)2benzoyl3(4nitrobenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)2benzoyl3(4nitrobenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
(2S3S3S10bR)3((4nitrophenyl)carbonyl)2(phenylcarbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
1177565422
C1=CC=C(C=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC=C(C=C7)(N+)(=O)(O)
InChI=1SC33H23N3O5c3729(2192131021)2728(30(38)22141623(171522)36(40)41)351918208451124(20)31(35)33(27)2512671326(25)3432(33)39h119272831H(H3439)t272831+33+m0s1
MFCD18245706
O=C((C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1ccccc1)C(=O)Nc1c2cccc1)cccc3)c1ccc(cc1)(N+)(=O)(O)
ZINC000101259962
ZINC101259962

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Available files

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