Vitas-M small molecule compound

4-methoxy-N-{2-[5-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide

Catalog ID
STK186799
SMILES C=CCn1c(CCNC(=O)c2ccc(cc2)OC)nnc1SCC(=O)Nc1ccc(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 C23H24N6O5S MW 496.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N6O5S/c1-3-14-28-20(12-13-24-22(31)16-4-10-19(34-2)11-5-16)26-27-23(28)35-15-21(30)25-17-6-8-18(9-7-17)29(32)33/h3-11H,1,12-15H2,2H3,(H,24,31)(H,25,30)
InChIKey
ZRUYOOAFXXIMNF-UHFFFAOYSA-N
Synonyms

4METHOXYN(2(5((2((4NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4METHOXYN(2(5(2(4NITROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)ETHYL)BENZAMIDE
C=CCn1c(CCNC(=O)c2ccc(cc2)OC)nnc1SCC(=O)Nc1ccc(cc1)(N+)(=O)(O)
COC1=CC=C(C=C1)C(=O)NCCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC23H24N6O5Sc13142820(12132422(31)1641019(342)11516)262723(28)351521(30)25176818(9717)29(32)33h311H11215H22H3(H2431)(H2530)
MFCD05998976
N(2(4ALLYL5((4NITROPHENYLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YL)ETHYL)4METHOXYBENZAMIDE
ZINC000009262323
ZINC09262323
ZINC9262323

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Available files

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