Vitas-M small molecule compound
propan-2-yl 3-[({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK117193
SMILES COc1ccc(cc1)c1nnc(n1C)SCC(=O)Nc1cccc(c1)C(=O)OC(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 C22H24N4O4S MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O4S/c1-14(2)30-21(28)16-6-5-7-17(12-16)23-19(27)13-31-22-25-24-20(26(22)3)15-8-10-18(29-4)11-9-15/h5-12,14H,13H2,1-4H3,(H,23,27)InChIKey
BXDWZXDDIHDNMY-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)OC
InChI=1SC22H24N4O4Sc114(2)3021(28)1665717(1216)2319(27)133122252420(26(22)3)1581018(294)11915h51214H13H214H3(H2327)
MFCD03998136
PROPAN2YL3((((5(4METHOXYPHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
PROPAN2YL3((2((5(4METHOXYPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
ZINC000001144194
ZINC01144194
ZINC1144194
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