Vitas-M small molecule compound
ethyl 6-tert-butyl-2-{[phenyl(phenylsulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK421300
SMILES CCOC(=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 C29H33NO3S2 MW 507.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO3S2/c1-5-33-28(32)24-22-17-16-20(29(2,3)4)18-23(22)35-27(24)30-26(31)25(19-12-8-6-9-13-19)34-21-14-10-7-11-15-21/h6-15,20,25H,5,16-18H2,1-4H3,(H,30,31)InChIKey
SUIYKPHYOBMGBW-UHFFFAOYSA-NSynonyms
331987-28-1331987281
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4
ethyl6tertbutyl2((2phenyl2phenylsulfanylacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6tertbutyl2((phenyl(phenylsulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H33NO3S2c153328(32)2422171620(29(23)4)1823(22)3527(24)3026(31)25(19128691319)342114107111521h6152025H51618H214H3(H3031)
MFCD01243841
ZINC000002729157
ZINC000002729160
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