Vitas-M small molecule compound
2-[4-methyl-5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-phenylacetamide
Catalog ID
STK197812
SMILES O=C(Nc1ccc(c(c1)[N+](=O)[O-])C)CSc1nnc(n1C)CC(=O)Nc1ccccc1
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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 C20H20N6O4S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N6O4S/c1-13-8-9-15(10-16(13)26(29)30)22-19(28)12-31-20-24-23-17(25(20)2)11-18(27)21-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,27)(H,22,28)InChIKey
FSGCOUJBAPGZMT-UHFFFAOYSA-NSynonyms
2(4METHYL5((2((4METHYL3NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)NPHENYLACETAMIDE
2(4METHYL5(2(4METHYL3NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)NPHENYLACETAMIDE
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3)(N+)(=O)(O)
InChI=1SC20H20N6O4Sc1138915(1016(13)26(29)30)2219(28)123120242317(25(20)2)1118(27)21146435714h310H1112H212H3(H2127)(H2228)
MFCD06625965
O=C(Nc1ccc(c(c1)(N+)(=O)(O))C)CSc1nnc(n1C)CC(=O)Nc1ccccc1
ZINC000002875743
ZINC02875743
ZINC2875743
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