Vitas-M small molecule compound

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

Catalog ID
STK597757
SMILES CCCCCc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2cccs2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

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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 C36H32N2O3S MW 572.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H32N2O3S/c1-2-3-4-10-23-16-18-25(19-17-23)32(39)30-31(33(40)29-15-9-22-42-29)38-21-20-24-11-5-6-12-26(24)34(38)36(30)27-13-7-8-14-28(27)37-35(36)41/h5-9,11-22,30-31,34H,2-4,10H2,1H3,(H,37,41)/t30-,31-,34+,36+/m0/s1
InChIKey
ONYGOYDHSJNGAY-UOWMXVQPSA-N
Synonyms
1212264-87-3
(1S2S3S10bR)2(4pentylbenzoyl)3(thiophene2carbonyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)2((4pentylphenyl)carbonyl)3(thiophen2ylcarbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)2(4pentylbenzoyl)3(thiophene2carbonyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212264873
CCCCCC1=CC=C(C=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC=CS7
CCCCCc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2cccs2)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2
InChI=1SC36H32N2O3Sc12341023161825(191723)32(39)3031(33(40)29159224229)3821202411561226(24)34(38)36(30)2713781428(27)3735(36)41h591122303134H2410H21H3(H3741)t303134+36+m0s1
MFCD18158543
ZINC000101670425
ZINC101670425

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Available files

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