Vitas-M small molecule compound
propan-2-yl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-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
STK302590
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)nnc1c1nn(cc1Cl)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 C28H31ClN6O4S2 MW 615.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31ClN6O4S2/c1-5-38-18-12-10-17(11-13-18)35-25(24-20(29)14-34(4)33-24)31-32-28(35)40-15-22(36)30-26-23(27(37)39-16(2)3)19-8-6-7-9-21(19)41-26/h10-14,16H,5-9,15H2,1-4H3,(H,30,36)InChIKey
ACKSVESFENQPHQ-UHFFFAOYSA-NSynonyms
957489-96-2957489962
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)C)C5=NN(C=C5Cl)C
InChI=1SC28H31ClN6O4S2c153818121017(111318)3525(2420(29)1434(4)3324)313228(35)401522(36)302623(27(37)3916(2)3)19867921(19)4126h101416H5915H214H3(H3036)
MFCD04048370
propan2yl2((((5(4chloro1methyl1Hpyrazol3yl)4(4ethoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((5(4chloro1methylpyrazol3yl)4(4ethoxyphenyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000008450927
ZINC08450927
ZINC8450927
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