Vitas-M small molecule compound
4-(7,7-dimethyl-9,11-dioxo-6,7,8,9,10,11-hexahydro-5H-indeno[1,2-b]quinolin-10-yl)phenyl phenyl(phenylsulfanyl)acetate
Catalog ID
STK082418
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)OC(=O)C(c1ccccc1)Sc1ccccc1)C1=C(N2)c2c(C1=O)cccc2
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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 C38H31NO4S MW 597.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H31NO4S/c1-38(2)21-29-32(30(40)22-38)31(33-34(39-29)27-15-9-10-16-28(27)35(33)41)23-17-19-25(20-18-23)43-37(42)36(24-11-5-3-6-12-24)44-26-13-7-4-8-14-26/h3-20,31,36,39H,21-22H2,1-2H3InChIKey
WHRBZXFJYZNUBM-UHFFFAOYSA-NSynonyms
(4(77dimethyl911dioxo56810tetrahydroindeno(12b)quinolin10yl)phenyl)2phenyl2phenylsulfanylacetate
4(77dimethyl911dioxo67891011hexahydro5Hindeno(12b)quinolin10yl)phenyl2phenyl2(phenylthio)acetate
4(77dimethyl911dioxo67891011hexahydro5Hindeno(12b)quinolin10yl)phenylphenyl(phenylsulfanyl)acetate
CC1(CC2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC(=O)C(C6=CC=CC=C6)SC7=CC=CC=C7)C(=O)C1)C
InChI=1SC38H31NO4Sc138(2)212932(30(40)2238)31(3334(3929)27159101628(27)35(33)41)23171925(201823)4337(42)36(24115361224)4426137481426h320313639H2122H212H3
MFCD02238592
O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)OC(=O)C(c1ccccc1)Sc1ccccc1)C1=C(N2)c2c(C1=O)cccc2
STK082418
ZINC000101483981
ZINC000101483987
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