Vitas-M small molecule compound
propan-2-yl 2-[({[5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK302686
SMILES COc1ccccc1n1c(SCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)nnc1c1nn(c(c1Cl)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 C28H31ClN6O4S2 MW 615.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31ClN6O4S2/c1-15(2)39-27(37)22-17-10-6-9-13-20(17)41-26(22)30-21(36)14-40-28-32-31-25(24-23(29)16(3)34(4)33-24)35(28)18-11-7-8-12-19(18)38-5/h7-8,11-12,15H,6,9-10,13-14H2,1-5H3,(H,30,36)InChIKey
ZQLLOXVMRATBFJ-UHFFFAOYSA-NSynonyms
957489-63-3957489633
CC1=C(C(=NN1C)C2=NN=C(N2C3=CC=CC=C3OC)SCC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C)Cl
InChI=1SC28H31ClN6O4S2c115(2)3927(37)221710691320(17)4126(22)3021(36)144028323125(2423(29)16(3)34(4)3324)35(28)1811781219(18)385h78111215H69101314H215H3(H3036)
MFCD04048367
propan2yl2((((5(4chloro15dimethyl1Hpyrazol3yl)4(2methoxyphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((2((5(4chloro15dimethylpyrazol3yl)4(2methoxyphenyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000008450924
ZINC8450924
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