Vitas-M small molecule compound
3-methyl-4-nitro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
Catalog ID
STK159097
SMILES O=C(c1ccc(c(c1)C)[N+](=O)[O-])Nc1nnc(s1)CCc1ccccc1
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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 C18H16N4O3S MW 368.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O3S/c1-12-11-14(8-9-15(12)22(24)25)17(23)19-18-21-20-16(26-18)10-7-13-5-3-2-4-6-13/h2-6,8-9,11H,7,10H2,1H3,(H,19,21,23)InChIKey
MLNLWEORFRRHAE-UHFFFAOYSA-NSynonyms
724746-44-5(3METHYL4NITROPHENYL)N(5(2PHENYLETHYL)(134THIADIAZOL2YL))CARBOXAMIDE
3METHYL4NITRON(5(2PHENYLETHYL)134THIADIAZOL2YL)BENZAMIDE
3METHYL4NITRON(5PHENETHYL134THIADIAZOL2YL)BENZAMIDE
724746445
CC1=C(C=CC(=C1)C(=O)NC2=NN=C(S2)CCC3=CC=CC=C3)(N+)(=O)(O)
InChI=1SC18H16N4O3Sc1121114(8915(12)22(24)25)17(23)1918212016(2618)107135324613h268911H710H21H3(H192123)
MFCD02868651
O=C(c1ccc(c(c1)C)(N+)(=O)(O))Nc1nnc(s1)CCc1ccccc1
ZINC000004696297
ZINC04696297
ZINC4696297
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