Vitas-M small molecule compound

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

Catalog ID
STK593236
SMILES COc1ccc(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 C32H24N2O4S MW 532.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H24N2O4S/c1-38-21-14-12-20(13-15-21)28(35)26-27(29(36)25-11-6-18-39-25)34-17-16-19-7-2-3-8-22(19)30(34)32(26)23-9-4-5-10-24(23)33-31(32)37/h2-18,26-27,30H,1H3,(H,33,37)/t26-,27-,30+,32+/m0/s1
InChIKey
ZQTLDHOPIXQIMX-DJLQPTFLSA-N
Synonyms
1177656-66-4
(1S2S3S10bR)2(4methoxybenzoyl)3(thiophene2carbonyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)2((4methoxyphenyl)carbonyl)3(thiophen2ylcarbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)2(4methoxybenzoyl)3(thiophene2carbonyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1177656664
COC1=CC=C(C=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC=CS7
COc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2cccs2)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2
InChI=1SC32H24N2O4Sc13821141220(131521)28(35)2627(29(36)25116183925)34171619723822(19)30(34)32(26)239451024(23)3331(32)37h218262730H1H3(H3337)t262730+32+m0s1
MFCD18245959
ZINC000101278067
ZINC101278067

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Available files

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