Vitas-M small molecule compound
2-(5-{[2-(4-cyanophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-N-(3-methoxyphenyl)acetamide
Catalog ID
STK497608
SMILES COc1cccc(c1)NC(=O)Cc1nnc(n1C)SCC(=O)c1ccc(cc1)C#N
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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 C21H19N5O3S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O3S/c1-26-19(11-20(28)23-16-4-3-5-17(10-16)29-2)24-25-21(26)30-13-18(27)15-8-6-14(12-22)7-9-15/h3-10H,11,13H2,1-2H3,(H,23,28)InChIKey
ORXZFMJGCVLOQP-UHFFFAOYSA-NSynonyms
2(5((2(4cyanophenyl)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)N(3methoxyphenyl)acetamide
2(5(2(4cyanophenyl)2oxoethyl)sulfanyl4methyl124triazol3yl)N(3methoxyphenyl)acetamide
CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)CC(=O)NC3=CC(=CC=C3)OC
InChI=1SC21H19N5O3Sc12619(1120(28)231643517(1016)292)242521(26)301318(27)158614(1222)7915h310H1113H212H3(H2328)
MFCD11854991
ZINC000032579354
ZINC32579354
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