Vitas-M small molecule compound
N-(2-chloro-5-nitrophenyl)-2-{[5-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK251234
SMILES COc1ccc(cc1)Cc1nnc([nH]1)SCC(=O)Nc1cc(ccc1Cl)[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 C18H16ClN5O4S MW 433.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN5O4S/c1-28-13-5-2-11(3-6-13)8-16-21-18(23-22-16)29-10-17(25)20-15-9-12(24(26)27)4-7-14(15)19/h2-7,9H,8,10H2,1H3,(H,20,25)(H,21,22,23)InChIKey
YODHAHKUYKUQBG-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)CC2=NC(=NN2)SCC(=O)NC3=C(C=CC(=C3)(N+)(=O)(O))Cl
COc1ccc(cc1)Cc1nnc((nH)1)SCC(=O)Nc1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC18H16ClN5O4Sc128135211(3613)8162118(232216)291017(25)2015912(24(26)27)4714(15)19h279H810H21H3(H2025)(H212223)
MFCD08670061
N(2CHLORO5NITROPHENYL)2((5((4METHOXYPHENYL)METHYL)1H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2CHLORO5NITROPHENYL)2((5(4METHOXYBENZYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2CHLORO5NITROPHENYL)2(5(4METHOXYBENZYL)4H(124)TRIAZOL3YLSULFANYL)ACETAMIDE
ZINC000009698925
ZINC09698925
ZINC9698925
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