Vitas-M small molecule compound
2-[4-(3-chlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Catalog ID
STK779771
SMILES N#Cc1c(sc2c1CCCCC2)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1cccc(c1)Cl
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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 C27H27ClN2O2S MW 479.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2O2S/c1-27(2)13-21-25(22(31)14-27)19(16-7-6-8-17(28)11-16)12-24(32)30(21)26-20(15-29)18-9-4-3-5-10-23(18)33-26/h6-8,11,19H,3-5,9-10,12-14H2,1-2H3InChIKey
RIKASQCFCPYGCU-UHFFFAOYSA-NSynonyms
2(4(3chlorophenyl)77dimethyl25dioxo345678hexahydroquinolin1(2H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
2(4(3chlorophenyl)77dimethyl25dioxo3468tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
CC1(CC2=C(C(CC(=O)N2C3=C(C4=C(S3)CCCCC4)C#N)C5=CC(=CC=C5)Cl)C(=O)C1)C
InChI=1SC27H27ClN2O2Sc127(2)132125(22(31)1427)19(1676817(28)1116)1224(32)30(21)2620(1529)1894351023(18)3326h681119H359101214H212H3
MFCD05859143
ZINC000012402381
ZINC000012402382
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