Vitas-M small molecule compound
(2E)-N-{[2-(3-chloro-4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-3-phenylprop-2-enamide
Catalog ID
STK059965
SMILES COc1ccc(cc1Cl)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)/C=C/c1ccccc1
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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 C24H20ClN5O2S MW 477.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClN5O2S/c1-15-12-20-21(29-30(28-20)17-9-10-22(32-2)18(25)13-17)14-19(15)26-24(33)27-23(31)11-8-16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,26,27,31,33)/b11-8+InChIKey
YCFWQWWOWNXQEQ-DHZHZOJOSA-NSynonyms
(2E)N((2(3CHLORO4METHOXYPHENYL)6METHYL2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
(E)N((2(3CHLORO4METHOXYPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C=CC3=CC=CC=C3)C4=CC(=C(C=C4)OC)Cl
COc1ccc(cc1Cl)n1nc2c(n1)cc(c(c2)C)NC(=S)NC(=O)C=Cc1ccccc1
InChI=1SC24H20ClN5O2Sc115122021(2930(2820)1791022(322)18(25)1317)1419(15)2624(33)2723(31)118166435716h314H12H3(H226273133)b118+
MFCD03109676
STK059965
ZINC000009553459
ZINC09553459
ZINC9553459
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