Vitas-M small molecule compound
2-{[5-{2-[(2,3-dichlorophenyl)amino]-2-oxoethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-5-nitrophenyl)acetamide
Catalog ID
STK186800
SMILES C=CCn1c(SCC(=O)Nc2cc(ccc2C)[N+](=O)[O-])nnc1CC(=O)Nc1cccc(c1Cl)Cl
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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 C22H20Cl2N6O4S MW 535.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20Cl2N6O4S/c1-3-9-29-18(11-19(31)25-16-6-4-5-15(23)21(16)24)27-28-22(29)35-12-20(32)26-17-10-14(30(33)34)8-7-13(17)2/h3-8,10H,1,9,11-12H2,2H3,(H,25,31)(H,26,32)InChIKey
PGGPEDBDFBVMHD-UHFFFAOYSA-NSynonyms
2((5(2((23DICHLOROPHENYL)AMINO)2OXOETHYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)N(2METHYL5NITROPHENYL)ACETAMIDE
C=CCn1c(SCC(=O)Nc2cc(ccc2C)(N+)(=O)(O))nnc1CC(=O)Nc1cccc(c1Cl)Cl
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2CC=C)CC(=O)NC3=C(C(=CC=C3)Cl)Cl
InChI=1SC22H20Cl2N6O4Sc1392918(1119(31)251664515(23)21(16)24)272822(29)351220(32)26171014(30(33)34)8713(17)2h3810H191112H22H3(H2531)(H2632)
MFCD05998977
N(23DICHLOROPHENYL)2(5(2(2METHYL5NITROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)ACETAMIDE
ZINC000002867116
ZINC2867116
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