Vitas-M small molecule compound
ethyl 2-[({[4-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK437438
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2C)C(C)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 C19H26N4O3S2 MW 422.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26N4O3S2/c1-5-26-18(25)15-12-8-6-7-9-13(12)28-17(15)20-14(24)10-27-19-22-21-16(11(2)3)23(19)4/h11H,5-10H2,1-4H3,(H,20,24)InChIKey
XQANPFABJQSYNZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C)C(C)C
ethyl2((((4methyl5(propan2yl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((4methyl5propan2yl124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC19H26N4O3S2c152618(25)1512867913(12)2817(15)2014(24)102719222116(11(2)3)23(19)4h11H510H214H3(H2024)
MFCD03945055
ZINC000017093256
ZINC17093256
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