Vitas-M small molecule compound

N-{1-[4-ethyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}-4-methoxybenzamide

Catalog ID
STK186781
SMILES COc1ccc(cc1)C(=O)NC(c1nnc(n1CC)SCC(=O)Nc1ccc(cc1C)[N+](=O)[O-])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 C25H30N6O5S MW 526.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N6O5S/c1-6-30-23(22(15(2)3)27-24(33)17-7-10-19(36-5)11-8-17)28-29-25(30)37-14-21(32)26-20-12-9-18(31(34)35)13-16(20)4/h7-13,15,22H,6,14H2,1-5H3,(H,26,32)(H,27,33)
InChIKey
WBAIYQYYEDLXAD-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)(N+)(=O)(O))C)C(C(C)C)NC(=O)C3=CC=C(C=C3)OC
COc1ccc(cc1)C(=O)NC(c1nnc(n1CC)SCC(=O)Nc1ccc(cc1C)(N+)(=O)(O))C(C)C
InChI=1SC25H30N6O5Sc163023(22(15(2)3)2724(33)1771019(365)11817)282925(30)371421(32)262012918(31(34)35)1316(20)4h7131522H614H215H3(H2632)(H2733)
MFCD06001388
N(1(4ETHYL5((2((2METHYL4NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)2METHYLPROPYL)4METHOXYBENZAMIDE
N(1(4ETHYL5(2(2METHYL4NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)2METHYLPROPYL)4METHOXYBENZAMIDE
ZINC000009262283
ZINC000009262286
ZINC09262286

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Available files

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