Vitas-M small molecule compound
methyl 3-{[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-5-nitrobenzoate
Catalog ID
STK062565
SMILES COc1ccc(cc1)Cc1nnc(s1)NC(=O)c1cc(cc(c1)C(=O)OC)[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 C19H16N4O6S MW 428.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O6S/c1-28-15-5-3-11(4-6-15)7-16-21-22-19(30-16)20-17(24)12-8-13(18(25)29-2)10-14(9-12)23(26)27/h3-6,8-10H,7H2,1-2H3,(H,20,22,24)InChIKey
TYMGTBXKPBVSHU-UHFFFAOYSA-NSynonyms
590399-00-1590399001
COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))C(=O)OC
COc1ccc(cc1)Cc1nnc(s1)NC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O)
InChI=1SC19H16N4O6Sc128155311(4615)716212219(3016)2017(24)12813(18(25)292)1014(912)23(26)27h36810H7H212H3(H202224)
METHYL3((5((4METHOXYPHENYL)METHYL)134THIADIAZOL2YL)CARBAMOYL)5NITROBENZOATE
METHYL3((5(4METHOXYBENZYL)134THIADIAZOL2YL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(5((4METHOXYPHENYL)METHYL)(134THIADIAZOL2YL))CARBAMOYL)3NITROBENZOATE
MFCD03351867
STK062565
ZINC000002814875
ZINC02814875
ZINC2814875
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