Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-3'-[(2,5-dimethoxyphenyl)carbonyl]-2'-(thiophen-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK578024
SMILES COc1ccc(c(c1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccs1)C(=O)Nc1c2cccc1)cccc3)OC

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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 C33H26N2O5S MW 562.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26N2O5S/c1-39-20-13-14-25(40-2)22(18-20)29(36)28-27(30(37)26-12-7-17-41-26)33(23-10-5-6-11-24(23)34-32(33)38)31-21-9-4-3-8-19(21)15-16-35(28)31/h3-18,27-28,31H,1-2H3,(H,34,38)/t27-,28-,31+,33+/m0/s1
InChIKey
KBOWMHAROVCLNI-TVNXZVQQSA-N
Synonyms
1212115-82-6
(1S2S3S10bR)3(25dimethoxybenzoyl)2(thiophene2carbonyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3((25dimethoxyphenyl)carbonyl)2(thiophen2ylcarbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(25dimethoxybenzoyl)2(thiophene2carbonyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212115826
COC1=CC(=C(C=C1)OC)C(=O)C2C(C3(C4N2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=CC=CS7
COc1ccc(c(c1)C(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@)2((C@@H)1C(=O)c1cccs1)C(=O)Nc1c2cccc1)cccc3)OC
InChI=1SC33H26N2O5Sc13920131425(402)22(1820)29(36)2827(30(37)26127174126)33(2310561124(23)3432(33)38)3121943819(21)151635(28)31h318272831H12H3(H3438)t272831+33+m0s1
MFCD18158132
ZINC000101671357
ZINC101671357

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Available files

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