Vitas-M small molecule compound
4-chloro-N-{[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK116694
SMILES COc1cccc(c1)NC(=O)CSc1nnc(n1C)CNC(=O)c1ccc(cc1)Cl
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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 C20H20ClN5O3S MW 445.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN5O3S/c1-26-17(11-22-19(28)13-6-8-14(21)9-7-13)24-25-20(26)30-12-18(27)23-15-4-3-5-16(10-15)29-2/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,27)InChIKey
DEQITHQQAINVIE-UHFFFAOYSA-NSynonyms
4CHLORON((5((2((3METHOXYPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
4CHLORON((5(2(3METHOXYANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)CNC(=O)C3=CC=C(C=C3)Cl
InChI=1SC20H20ClN5O3Sc12617(112219(28)136814(21)9713)242520(26)301218(27)231543516(1015)292h310H1112H212H3(H2228)(H2327)
MFCD04128442
ZINC000002841535
ZINC02841535
ZINC2841535
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