Vitas-M small molecule compound
N-(2-{4-ethyl-5-[(2-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-2-fluorobenzamide
Catalog ID
STK246090
SMILES CCn1c(CCNC(=O)c2ccccc2F)nnc1SCc1ccccc1[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 C20H20FN5O3S MW 429.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FN5O3S/c1-2-25-18(11-12-22-19(27)15-8-4-5-9-16(15)21)23-24-20(25)30-13-14-7-3-6-10-17(14)26(28)29/h3-10H,2,11-13H2,1H3,(H,22,27)InChIKey
VXRJWJQNCOKWOA-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC2=CC=CC=C2(N+)(=O)(O))CCNC(=O)C3=CC=CC=C3F
CCn1c(CCNC(=O)c2ccccc2F)nnc1SCc1ccccc1(N+)(=O)(O)
InChI=1SC20H20FN5O3Sc122518(11122219(27)15845916(15)21)232420(25)3013147361017(14)26(28)29h310H21113H21H3(H2227)
MFCD08683273
N(2(4ethyl5((2nitrobenzyl)sulfanyl)4H124triazol3yl)ethyl)2fluorobenzamide
N(2(4ethyl5((2nitrophenyl)methylsulfanyl)124triazol3yl)ethyl)2fluorobenzamide
N(2(4ETHYL5(2NITROBENZYLSULFANYL)4H(124)TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
ZINC000009328767
ZINC09328767
ZINC9328767
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