Vitas-M small molecule compound
(2E)-3-(4-chlorophenyl)-N-{[2-(4-ethoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide
Catalog ID
STK110254
SMILES CCOc1ccc(cc1)n1nc2c(n1)cc(c(c2)NC(=S)NC(=O)/C=C/c1ccc(cc1)Cl)C
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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 C25H22ClN5O2S MW 492.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O2S/c1-3-33-20-11-9-19(10-12-20)31-29-22-14-16(2)21(15-23(22)30-31)27-25(34)28-24(32)13-6-17-4-7-18(26)8-5-17/h4-15H,3H2,1-2H3,(H2,27,28,32,34)/b13-6+InChIKey
FEUHVIMEMFIFDY-AWNIVKPZSA-NSynonyms
(2E)3(4CHLOROPHENYL)N((2(4ETHOXYPHENYL)6METHYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)PROP2ENAMIDE
(E)3(4CHLOROPHENYL)N((2(4ETHOXYPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)PROP2ENAMIDE
CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C=CC4=CC=C(C=C4)Cl)C
CCOc1ccc(cc1)n1nc2c(n1)cc(c(c2)NC(=S)NC(=O)C=Cc1ccc(cc1)Cl)C
InChI=1SC25H22ClN5O2Sc13332011919(101220)3129221416(2)21(1523(22)3031)2725(34)2824(32)136174718(26)8517h415H3H212H3(H227283234)b136+
MFCD03056719
ZINC000009763190
ZINC09763190
ZINC9763190
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