Vitas-M small molecule compound

2-[(5-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide

Catalog ID
STK186793
SMILES O=C(Nc1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1C)CC(=O)Nc1ccc(c(c1)Cl)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 C20H19ClN6O4S MW 474.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN6O4S/c1-12-3-4-14(9-16(12)21)23-18(28)10-17-24-25-20(26(17)2)32-11-19(29)22-13-5-7-15(8-6-13)27(30)31/h3-9H,10-11H2,1-2H3,(H,22,29)(H,23,28)
InChIKey
RGYVMFBZVMLLLW-UHFFFAOYSA-N
Synonyms
5366-69-8
2((5(2((3CHLORO4METHYLPHENYL)AMINO)2OXOETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
5366698
CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)(N+)(=O)(O))Cl
InChI=1SC20H19ClN6O4Sc1123414(916(12)21)2318(28)1017242520(26(17)2)321119(29)22135715(8613)27(30)31h39H1011H212H3(H2229)(H2328)
MFCD06001970
N(3CHLORO4METHYLPHENYL)2(4METHYL5(2(4NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ACETAMIDE
O=C(Nc1ccc(cc1)(N+)(=O)(O))CSc1nnc(n1C)CC(=O)Nc1ccc(c(c1)Cl)C
ZINC000009262302
ZINC09262302
ZINC9262302

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Available files

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