Vitas-M small molecule compound
methyl 4-{[(6-tert-butyl-2-{[(E)-(2,4,5-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}benzoate
Catalog ID
STK188369
SMILES COc1cc(OC)c(cc1/C=N/c1sc2c(c1C(=O)Nc1ccc(cc1)C(=O)OC)CCC(C2)C(C)(C)C)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 C31H36N2O6S MW 564.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N2O6S/c1-31(2,3)20-10-13-22-26(15-20)40-29(32-17-19-14-24(37-5)25(38-6)16-23(19)36-4)27(22)28(34)33-21-11-8-18(9-12-21)30(35)39-7/h8-9,11-12,14,16-17,20H,10,13,15H2,1-7H3,(H,33,34)/b32-17+InChIKey
HCVJWORNUASOJE-VTNSRFBWSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)C(=O)OC)N=CC4=CC(=C(C=C4OC)OC)OC
COc1cc(OC)c(cc1C=Nc1sc2c(c1C(=O)Nc1ccc(cc1)C(=O)OC)CCC(C2)C(C)(C)C)OC
InChI=1SC31H36N2O6Sc131(23)2010132226(1520)4029(3217191424(375)25(386)1623(19)364)27(22)28(34)332111818(91221)30(35)397h89111214161720H101315H217H3(H3334)b3217+
methyl4(((6tertbutyl2(((E)(245trimethoxyphenyl)methylidene)amino)4567tetrahydro1benzothiophen3yl)carbonyl)amino)benzoate
methyl4((6tertbutyl2((E)(245trimethoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonyl)amino)benzoate
MFCD08672648
ZINC000097961045
ZINC000097961046
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