Vitas-M small molecule compound
2-bromo-N-{[5-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK186712
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)OCC)nnc1CNC(=O)c1ccccc1Br
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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 C23H24BrN5O3S MW 530.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24BrN5O3S/c1-3-13-29-20(14-25-22(31)18-7-5-6-8-19(18)24)27-28-23(29)33-15-21(30)26-16-9-11-17(12-10-16)32-4-2/h3,5-12H,1,4,13-15H2,2H3,(H,25,31)(H,26,30)InChIKey
PDOMHCBJYKQOSL-UHFFFAOYSA-NSynonyms
2BROMON((5((2((4ETHOXYPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
2BROMON((5(2(4ETHOXYANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)BENZAMIDE
CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3Br
InChI=1SC23H24BrN5O3Sc13132920(142522(31)18756819(18)24)272823(29)331521(30)261691117(121016)3242h3512H141315H22H3(H2531)(H2630)
MFCD06622231
N(4ALLYL5((4ETHOXYPHENYLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)2BROMOBENZAMIDE
ZINC000059611981
ZINC59611981
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