Vitas-M small molecule compound
methyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK302893
SMILES COC(=O)c1c(NC(=O)CSc2nnc(n2c2cccc(c2)C)c2nn(cc2Cl)C)sc2c1CCCC2
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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 C25H25ClN6O3S2 MW 557.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN6O3S2/c1-14-7-6-8-15(11-14)32-22(21-17(26)12-31(2)30-21)28-29-25(32)36-13-19(33)27-23-20(24(34)35-3)16-9-4-5-10-18(16)37-23/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,27,33)InChIKey
KSHPJCMPNJUDDN-UHFFFAOYSA-NSynonyms
1005557-55-01005557550
CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)C5=NN(C=C5Cl)C
InChI=1SC25H25ClN6O3S2c11476815(1114)3222(2117(26)1231(2)3021)282925(32)361319(33)272320(24(34)353)169451018(16)3723h681112H4591013H213H3(H2733)
methyl2((((5(4chloro1methyl1Hpyrazol3yl)4(3methylphenyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((5(4chloro1methylpyrazol3yl)4(3methylphenyl)124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04049020
ZINC000002747888
ZINC2747888
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