Vitas-M small molecule compound
N-({4-methyl-5-[(3-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-1,3-benzodioxole-5-carboxamide
Catalog ID
STK267246
SMILES Cc1cccc(c1)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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-13-4-3-5-14(8-13)11-28-20-23-22-18(24(20)2)10-21-19(25)15-6-7-16-17(9-15)27-12-26-16/h3-9H,10-12H2,1-2H3,(H,21,25)InChIKey
AXPHNDRJKFZJIZ-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(4METHYL5(3METHYLBENZYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)AMIDE
CC1=CC(=CC=C1)CSC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC20H20N4O3Sc11343514(813)112820232218(24(20)2)102119(25)15671617(915)27122616h39H1012H212H3(H2125)
MFCD09267885
N((4methyl5((3methylbenzyl)sulfanyl)4H124triazol3yl)methyl)13benzodioxole5carboxamide
N((4METHYL5((3METHYLPHENYL)METHYLSULFANYL)124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
ZINC000007871089
ZINC07871089
ZINC7871089
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