Vitas-M small molecule compound

(2'S,3S,3'S,10b'R)-3'-(1,3-benzodioxol-5-ylcarbonyl)-2'-[(4-propylphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one

Catalog ID
STK584410
SMILES CCCc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)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 C37H30N2O5 MW 582.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H30N2O5/c1-2-7-22-12-14-24(15-13-22)33(40)31-32(34(41)25-16-17-29-30(20-25)44-21-43-29)39-19-18-23-8-3-4-9-26(23)35(39)37(31)27-10-5-6-11-28(27)38-36(37)42/h3-6,8-20,31-32,35H,2,7,21H2,1H3,(H,38,42)/t31-,32-,35+,37+/m0/s1
InChIKey
XPBBRUQXAANMMS-UMKORLBGSA-N
Synonyms
1212286-75-3
(1S2S3S10bR)3(benzo(d)(13)dioxole5carbonyl)2(4propylbenzoyl)310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)2one
(2S3S3S10bR)3(13benzodioxol5ylcarbonyl)2((4propylphenyl)carbonyl)23dihydro10bHspiro(indole31pyrrolo(21a)isoquinolin)2(1H)one
(2S3S3S10bR)3(13benzodioxole5carbonyl)2(4propylbenzoyl)spiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)2one
1212286753
CCCC1=CC=C(C=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC8=C(C=C7)OCO8
CCCc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccc3c(c2)OCO3)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2
InChI=1SC37H30N2O5c12722121424(151322)33(40)3132(34(41)2516172930(2025)44214329)39191823834926(23)35(39)37(31)2710561128(27)3836(37)42h36820313235H2721H21H3(H3842)t313235+37+m0s1
MFCD18158259
ZINC000101670739
ZINC101670739

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Available files

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