Vitas-M small molecule compound
N-{[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Catalog ID
STK323593
SMILES COc1ccc(cc1)n1nc2c(n1)ccc(c2)NC(=S)NC(=O)c1ccc2c(c1)OCCO2
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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 C23H19N5O4S MW 461.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N5O4S/c1-30-17-6-4-16(5-7-17)28-26-18-8-3-15(13-19(18)27-28)24-23(33)25-22(29)14-2-9-20-21(12-14)32-11-10-31-20/h2-9,12-13H,10-11H2,1H3,(H2,24,25,29,33)InChIKey
MMKHNMXEUHUDBE-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC5=C(C=C4)OCCO5
InChI=1SC23H19N5O4Sc130176416(5717)2826188315(1319(18)2728)2423(33)2522(29)14292021(1214)3211103120h291213H1011H21H3(H224252933)
MFCD04072909
N((2(4methoxyphenyl)2Hbenzotriazol5yl)carbamothioyl)23dihydro14benzodioxine6carboxamide
N((2(4METHOXYPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)23DIHYDRO14BENZODIOXINE6CARBOXAMIDE
N(23DIHYDRO14BENZODIOXIN6YLCARBONYL)N(2(4METHOXYPHENYL)2H123BENZOTRIAZOL5YL)THIOUREA
ZINC000001098810
ZINC01098810
ZINC1098810
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