Vitas-M small molecule compound
2-{3-(4-nitrophenyl)-5-[(2-oxo-2-{[2-(propan-2-yloxy)phenyl]amino}ethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-N-[2-(propan-2-yloxy)phenyl]acetamide
Catalog ID
STK545194
SMILES O=C(Nc1ccccc1OC(C)C)CSc1nc(nn1CC(=O)Nc1ccccc1OC(C)C)c1ccc(cc1)[N+](=O)[O-]
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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 C30H32N6O6S MW 604.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N6O6S/c1-19(2)41-25-11-7-5-9-23(25)31-27(37)17-35-30(33-29(34-35)21-13-15-22(16-14-21)36(39)40)43-18-28(38)32-24-10-6-8-12-26(24)42-20(3)4/h5-16,19-20H,17-18H2,1-4H3,(H,31,37)(H,32,38)InChIKey
POMXWRMCCYHGLQ-UHFFFAOYSA-NSynonyms
2(3(4nitrophenyl)5((2oxo2((2(propan2yloxy)phenyl)amino)ethyl)sulfanyl)1H124triazol1yl)N(2(propan2yloxy)phenyl)acetamide
2(3(4NITROPHENYL)5(2OXO2(2PROPAN2YLOXYANILINO)ETHYL)SULFANYL124TRIAZOL1YL)N(2PROPAN2YLOXYPHENYL)ACETAMIDE
CC(C)OC1=CC=CC=C1NC(=O)CN2C(=NC(=N2)C3=CC=C(C=C3)(N+)(=O)(O))SCC(=O)NC4=CC=CC=C4OC(C)C
InChI=1SC30H32N6O6Sc119(2)41251175923(25)3127(37)173530(3329(3435)21131522(161421)36(39)40)431828(38)322410681226(24)4220(3)4h5161920H1718H214H3(H3137)(H3238)
MFCD03196849
N(2(1METHYLETHOXY)PHENYL)2((1(2((2(1METHYLETHOXY)PHENYL)AMINO)2OXOETHYL)3(4NITROPHENYL)1H124TRIAZOL5YL)SULFANYL)ACETAMIDE
N(2isopropoxyphenyl)2((1(2((2isopropoxyphenyl)amino)2oxoethyl)3(4nitrophenyl)1H124triazol5yl)thio)acetamide
O=C(Nc1ccccc1OC(C)C)CSc1nc(nn1CC(=O)Nc1ccccc1OC(C)C)c1ccc(cc1)(N+)(=O)(O)
ZINC000102440724
ZINC102440724
Check stock
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