Vitas-M small molecule compound
N-{3-[5-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-4-methylbenzamide
Catalog ID
STL357670
SMILES O=C(Nc1c(C)cccc1C)CSc1nnc(n1C)c1cccc(c1)NC(=O)c1ccc(cc1)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 C27H27N5O2S MW 485.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O2S/c1-17-11-13-20(14-12-17)26(34)28-22-10-6-9-21(15-22)25-30-31-27(32(25)4)35-16-23(33)29-24-18(2)7-5-8-19(24)3/h5-15H,16H2,1-4H3,(H,28,34)(H,29,33)InChIKey
BKVWFGBVOYVGQT-UHFFFAOYSA-NSynonyms
443296-10-4443296104
CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(N3C)SCC(=O)NC4=C(C=CC=C4C)C
InChI=1SC27H27N5O2Sc117111320(141217)26(34)2822106921(1522)25303127(32(25)4)351623(33)292418(2)75819(24)3h515H16H214H3(H2834)(H2933)
MFCD03082115
N(3(5((2((26dimethylphenyl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)phenyl)4methylbenzamide
N(3(5((2((26dimethylphenyl)amino)2oxoethyl)thio)4methyl4H124triazol3yl)phenyl)4methylbenzamide
N(3(5((2(26DIMETHYLANILINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)PHENYL)4METHYLBENZAMIDE
N(3(5(2(26DIMETHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)PHENYL)4METHYLBENZAMIDE
ZINC000000694093
ZINC00694093
ZINC694093
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