Vitas-M small molecule compound
N-{[4-methyl-5-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK116071
SMILES O=C(Nc1ccc(cc1)C)CSc1nnc(n1C)CNC(=O)c1ccc2c(c1)OCO2
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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/c1-13-3-6-15(7-4-13)23-19(27)11-31-21-25-24-18(26(21)2)10-22-20(28)14-5-8-16-17(9-14)30-12-29-16/h3-9H,10-12H2,1-2H3,(H,22,28)(H,23,27)InChIKey
SXRYOXYSRIWHMQ-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H21N5O4Sc1133615(7413)2319(27)113121252418(26(21)2)102220(28)14581617(914)30122916h39H1012H212H3(H2228)(H2327)
MFCD04091019
N((4METHYL5((2((4METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((4METHYL5((2OXO2(4TOLUIDINO)ETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((4METHYL5(2(4METHYLANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000000687553
ZINC00687553
ZINC687553
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