Vitas-M small molecule compound

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

Catalog ID
STK186778
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2C)[N+](=O)[O-])nnc1CCNC(=O)c1ccccc1F

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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 C23H23FN6O4S MW 498.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23FN6O4S/c1-3-12-29-20(10-11-25-22(32)17-6-4-5-7-18(17)24)27-28-23(29)35-14-21(31)26-19-9-8-16(30(33)34)13-15(19)2/h3-9,13H,1,10-12,14H2,2H3,(H,25,32)(H,26,31)
InChIKey
XWYFVKPRBVZXEI-UHFFFAOYSA-N
Synonyms

2FLUORON(2(5((2((2METHYL4NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
2FLUORON(2(5(2(2METHYL4NITROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)ETHYL)BENZAMIDE
C=CCn1c(SCC(=O)Nc2ccc(cc2C)(N+)(=O)(O))nnc1CCNC(=O)c1ccccc1F
CC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2CC=C)CCNC(=O)C3=CC=CC=C3F
InChI=1SC23H23FN6O4Sc13122920(10112522(32)17645718(17)24)272823(29)351421(31)26199816(30(33)34)1315(19)2h3913H1101214H22H3(H2532)(H2631)
MFCD05998961
ZINC000009262276
ZINC09262276
ZINC9262276

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Available files

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