Vitas-M small molecule compound
4-methoxy-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Catalog ID
STK100646
SMILES COc1ccc(cc1)Cc1nnc(s1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])OC
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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 C18H16N4O5S MW 400.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O5S/c1-26-13-6-3-11(4-7-13)9-16-20-21-18(28-16)19-17(23)12-5-8-15(27-2)14(10-12)22(24)25/h3-8,10H,9H2,1-2H3,(H,19,21,23)InChIKey
ZKUVLNBSRHPQAB-UHFFFAOYSA-NSynonyms
636993-61-8(4METHOXY3NITROPHENYL)N(5((4METHOXYPHENYL)METHYL)(134THIADIAZOL2YL))CARBOXAMIDE
4METHOXYN(5((4METHOXYPHENYL)METHYL)134THIADIAZOL2YL)3NITROBENZAMIDE
4METHOXYN(5(4METHOXYBENZYL)134THIADIAZOL2YL)3NITROBENZAMIDE
636993618
COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)OC)(N+)(=O)(O)
COc1ccc(cc1)Cc1nnc(s1)NC(=O)c1ccc(c(c1)(N+)(=O)(O))OC
InChI=1SC18H16N4O5Sc126136311(4713)916202118(2816)1917(23)125815(272)14(1012)22(24)25h3810H9H212H3(H192123)
MFCD03351801
ZINC000004679206
ZINC04679206
ZINC4679206
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