Vitas-M small molecule compound
N-{[5-({2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STL122588
SMILES O=C(Nc1sc(c(n1)C)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 C19H20N6O4S2 MW 460.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N6O4S2/c1-10-11(2)31-18(21-10)22-16(26)8-30-19-24-23-15(25(19)3)7-20-17(27)12-4-5-13-14(6-12)29-9-28-13/h4-6H,7-9H2,1-3H3,(H,20,27)(H,21,22,26)InChIKey
XONQLHHIXGBIPW-UHFFFAOYSA-NSynonyms
CC1=C(SC(=N1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC4=C(C=C3)OCO4)C
InChI=1SC19H20N6O4S2c11011(2)3118(2110)2216(26)83019242315(25(19)3)72017(27)12451314(612)2992813h46H79H213H3(H2027)(H212226)
MFCD17011580
N((5((2((45dimethyl13thiazol2yl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)methyl)13benzodioxole5carboxamide
N((5(2((45dimethyl13thiazol2yl)amino)2oxoethyl)sulfanyl4methyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000028211946
ZINC28211946
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