Vitas-M small molecule compound
2-(5-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-N-(4-methylphenyl)acetamide
Catalog ID
STK230389
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1C)CC(=O)Nc1ccc(cc1)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 C21H21N5O4S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S/c1-13-3-5-14(6-4-13)22-19(27)10-18-24-25-21(26(18)2)31-11-20(28)23-15-7-8-16-17(9-15)30-12-29-16/h3-9H,10-12H2,1-2H3,(H,22,27)(H,23,28)InChIKey
LSGARLFAKDENDV-UHFFFAOYSA-NSynonyms
2(5((2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)N(4METHYLPHENYL)ACETAMIDE
2(5(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)N(4METHYLPHENYL)ACETAMIDE
CC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=CC4=C(C=C3)OCO4
InChI=1SC21H21N5O4Sc1133514(6413)2219(27)1018242521(26(18)2)311120(28)2315781617(915)30122916h39H1012H212H3(H2227)(H2328)
MFCD07790379
ZINC000009263699
ZINC09263699
ZINC9263699
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