Vitas-M small molecule compound
4-({(2'S,3S,3'S,10b'R)-2'-[(2,5-dimethoxyphenyl)carbonyl]-2-oxo-1,2,2',3'-tetrahydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-3'-yl}carbonyl)phenyl acetate
Catalog ID
STK595431
SMILES COc1ccc(c(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)OC(=O)C)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)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 C37H30N2O7 MW 614.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H30N2O7/c1-21(40)46-24-14-12-23(13-15-24)33(41)32-31(34(42)27-20-25(44-2)16-17-30(27)45-3)37(28-10-6-7-11-29(28)38-36(37)43)35-26-9-5-4-8-22(26)18-19-39(32)35/h4-20,31-32,35H,1-3H3,(H,38,43)/t31-,32-,35+,37+/m0/s1InChIKey
QHQGFFQVGDYKFW-UMKORLBGSA-NSynonyms
1212359-40-4(4((2S3S3S10bR)2(25dimethoxybenzoyl)2oxospiro(1Hindole31310bdihydro2Hpyrrolo(21a)isoquinoline)3carbonyl)phenyl)acetate
1212359404
4(((2S3S3S10bR)2((25dimethoxyphenyl)carbonyl)2oxo1223tetrahydro10bHspiro(indole31pyrrolo(21a)isoquinolin)3yl)carbonyl)phenylacetate
4((1S2S3S10bR)2(25dimethoxybenzoyl)2oxo310bdihydro2Hspiro(indoline31pyrrolo(21a)isoquinolin)3ylcarbonyl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C(=O)C2C(C3(C4N2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=C(C=CC(=C7)OC)OC
COc1ccc(c(c1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccc(cc2)OC(=O)C)N2(C@@H)((C@@)31C(=O)Nc1c3cccc1)c1ccccc1C=C2)OC
InChI=1SC37H30N2O7c121(40)4624141223(131524)33(41)3231(34(42)272025(442)161730(27)453)37(2810671129(28)3836(37)43)3526954822(26)181939(32)35h420313235H13H3(H3843)t313235+37+m0s1
MFCD18158476
ZINC000101671627
ZINC101671627
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