Vitas-M small molecule compound
(1'S,2'S,3R,3a'R)-5',7'-dimethyl-2'-[(4-pentylphenyl)carbonyl]-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Catalog ID
STK565013
SMILES CCCCCc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=C(c1c2ccc(c1)C)C
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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 C40H38N2O3 MW 594.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H38N2O3/c1-4-5-7-12-27-18-20-29(21-19-27)37(43)35-36(38(44)28-13-8-6-9-14-28)42-33-22-17-25(2)23-30(33)26(3)24-34(42)40(35)31-15-10-11-16-32(31)41-39(40)45/h6,8-11,13-24,34-36H,4-5,7,12H2,1-3H3,(H,41,45)/t34-,35+,36+,40-/m1/s1InChIKey
HHVWTSVUVGQOOS-SMTMOVGSSA-NSynonyms
1212312-37-2(1S2S3R3aR)1benzoyl57dimethyl2(4pentylbenzoyl)23adihydro1Hspiro(indoline33pyrrolo(12a)quinolin)2one
(1S2S3R3aR)1benzoyl57dimethyl2(4pentylbenzoyl)spiro(1Hindole3323adihydro1Hpyrrolo(12a)quinoline)2one
(1S2S3R3aR)57dimethyl2((4pentylphenyl)carbonyl)1(phenylcarbonyl)12dihydro3aHspiro(indole33pyrrolo(12a)quinolin)2(1H)one
1212312372
CCCCCC1=CC=C(C=C1)C(=O)C2C(N3C(C24C5=CC=CC=C5NC4=O)C=C(C6=C3C=CC(=C6)C)C)C(=O)C7=CC=CC=C7
CCCCCc1ccc(cc1)C(=O)(C@@H)1(C@@H)(C(=O)c2ccccc2)N2(C@@H)((C@)31C(=O)Nc1c3cccc1)C=C(c1c2ccc(c1)C)C
InChI=1SC40H38N2O3c14571227182029(211927)37(43)3536(38(44)28138691428)4233221725(2)2330(33)26(3)2434(42)40(35)311510111632(31)4139(40)45h681113243436H45712H213H3(H4145)t3435+36+40m1s1
MFCD18157893
ZINC000101671967
ZINC101671967
Check stock
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