Vitas-M small molecule compound
propan-2-yl 2-[({[5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK302813
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)nnc1c1cc(nn1C)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 C29H34N6O4S2 MW 594.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N6O4S2/c1-6-38-20-13-11-19(12-14-20)35-26(22-15-18(4)33-34(22)5)31-32-29(35)40-16-24(36)30-27-25(28(37)39-17(2)3)21-9-7-8-10-23(21)41-27/h11-15,17H,6-10,16H2,1-5H3,(H,30,36)InChIKey
NOVZLSFTAYXPMU-UHFFFAOYSA-NSynonyms
1005694-24-51005694245
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C)C5=CC(=NN5C)C
InChI=1SC29H34N6O4S2c163820131119(121420)3526(221518(4)3334(22)5)313229(35)401624(36)302725(28(37)3917(2)3)219781023(21)4127h111517H61016H215H3(H3036)
MFCD04048677
propan2yl2((((5(13dimethyl1Hpyrazol5yl)4(4ethoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((5(25dimethylpyrazol3yl)4(4ethoxyphenyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002743667
ZINC2743667
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