Vitas-M small molecule compound
methyl 6-tert-butyl-2-{[phenyl(phenylsulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK375239
SMILES COC(=O)c1c(NC(=O)C(c2ccccc2)Sc2ccccc2)sc2c1CCC(C2)C(C)(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 C28H31NO3S2 MW 493.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO3S2/c1-28(2,3)19-15-16-21-22(17-19)34-26(23(21)27(31)32-4)29-25(30)24(18-11-7-5-8-12-18)33-20-13-9-6-10-14-20/h5-14,19,24H,15-17H2,1-4H3,(H,29,30)InChIKey
KKCIZVXMKQOVRG-UHFFFAOYSA-NSynonyms
303135-75-3303135753
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4
InChI=1SC28H31NO3S2c128(23)1915162122(1719)3426(23(21)27(31)324)2925(30)24(18117581218)33201396101420h5141924H1517H214H3(H2930)
methyl6tertbutyl2((2phenyl2phenylsulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((phenyl(phenylsulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01191794
ZINC000002729056
ZINC000002729059
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