Vitas-M small molecule compound
methyl 4,5-dimethyl-2-(3,3,6,6-tetramethyl-1,8-dioxo-9-phenyl-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl)thiophene-3-carboxylate
Catalog ID
STK435759
SMILES COC(=O)c1c(sc(c1C)C)N1C2=C(C(=O)CC(C2)(C)C)C(C2=C1CC(C)(C)CC2=O)c1ccccc1
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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 C31H35NO4S MW 517.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO4S/c1-17-18(2)37-28(24(17)29(35)36-7)32-20-13-30(3,4)15-22(33)26(20)25(19-11-9-8-10-12-19)27-21(32)14-31(5,6)16-23(27)34/h8-12,25H,13-16H2,1-7H3InChIKey
KVAKQQWXDCLMGQ-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)N2C3=C(C(C4=C2CC(CC4=O)(C)C)C5=CC=CC=C5)C(=O)CC(C3)(C)C)C
InChI=1SC31H35NO4Sc11718(2)3728(24(17)29(35)367)32201330(34)1522(33)26(20)25(191198101219)2721(32)1431(56)1623(27)34h81225H1316H217H3
methyl45dimethyl2(3366tetramethyl18dioxo9phenyl23456789octahydroacridin10(1H)yl)thiophene3carboxylate
methyl45dimethyl2(3366tetramethyl18dioxo9phenyl4579tetrahydro2Hacridin10yl)thiophene3carboxylate
MFCD03943795
ZINC000020343178
ZINC20343178
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