Vitas-M small molecule compound
N-{[5-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK230192
SMILES O=C(Nc1ccc(cc1C)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 C22H23N5O4S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S/c1-13-4-6-16(14(2)8-13)24-20(28)11-32-22-26-25-19(27(22)3)10-23-21(29)15-5-7-17-18(9-15)31-12-30-17/h4-9H,10-12H2,1-3H3,(H,23,29)(H,24,28)InChIKey
LRTBGLLJYQKARQ-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(5((24DIMETHYLPHENYLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YLMETHYL)AMIDE
CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4)C
InChI=1SC22H23N5O4Sc1134616(14(2)813)2420(28)113222262519(27(22)3)102321(29)15571718(915)31123017h49H1012H213H3(H2329)(H2428)
MFCD07792022
N((5((2((24DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5(2(24DIMETHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000009260598
ZINC09260598
ZINC9260598
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