Vitas-M small molecule compound
N-(2-chlorophenyl)-3-{4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propanamide
Catalog ID
STK246181
SMILES CCn1c(CCC(=O)Nc2ccccc2Cl)nnc1SCc1ccc(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 C20H20ClN5O3S MW 445.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN5O3S/c1-2-25-18(11-12-19(27)22-17-6-4-3-5-16(17)21)23-24-20(25)30-13-14-7-9-15(10-8-14)26(28)29/h3-10H,2,11-13H2,1H3,(H,22,27)InChIKey
TVAJDNKEAWKSQE-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))CCC(=O)NC3=CC=CC=C3Cl
CCn1c(CCC(=O)Nc2ccccc2Cl)nnc1SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H20ClN5O3Sc122518(111219(27)2217643516(17)21)232420(25)3013147915(10814)26(28)29h310H21113H21H3(H2227)
MFCD08683828
N(2chlorophenyl)3(4ethyl5((4nitrobenzyl)sulfanyl)4H124triazol3yl)propanamide
N(2chlorophenyl)3(4ethyl5((4nitrophenyl)methylsulfanyl)124triazol3yl)propanamide
N(2CHLOROPHENYL)3(4ETHYL5(4NITROBENZYLSULFANYL)4H(124)TRIAZOL3YL)PROPIONAMIDE
ZINC000009328973
ZINC09328973
ZINC9328973
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