Vitas-M small molecule compound
N-({6-methyl-2-[4-(propan-2-yl)phenyl]-2H-benzotriazol-5-yl}carbamothioyl)-4-(propan-2-yl)benzamide
Catalog ID
STK295294
SMILES S=C(Nc1cc2nn(nc2cc1C)c1ccc(cc1)C(C)C)NC(=O)c1ccc(cc1)C(C)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 C27H29N5OS MW 471.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5OS/c1-16(2)19-6-8-21(9-7-19)26(33)29-27(34)28-23-15-25-24(14-18(23)5)30-32(31-25)22-12-10-20(11-13-22)17(3)4/h6-17H,1-5H3,(H2,28,29,33,34)InChIKey
CJNKVJIGKHGRNK-UHFFFAOYSA-NSynonyms
CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(C=C3)C(C)C)C4=CC=C(C=C4)C(C)C
InChI=1SC27H29N5OSc116(2)196821(9719)26(33)2927(34)2823152524(1418(23)5)3032(3125)22121020(111322)17(3)4h617H15H3(H228293334)
MFCD08114745
N((6methyl2(4(propan2yl)phenyl)2Hbenzotriazol5yl)carbamothioyl)4(propan2yl)benzamide
N((6methyl2(4propan2ylphenyl)benzotriazol5yl)carbamothioyl)4propan2ylbenzamide
ZINC000013954779
ZINC13954779
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