Vitas-M small molecule compound
methyl 3-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl}-5-nitrobenzoate
Catalog ID
STK096208
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1ccc(cc1)c1sc2c(n1)ccc(c2)C
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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 C23H17N3O5S MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O5S/c1-13-3-8-19-20(9-13)32-22(25-19)14-4-6-17(7-5-14)24-21(27)15-10-16(23(28)31-2)12-18(11-15)26(29)30/h3-12H,1-2H3,(H,24,27)InChIKey
FKWIDKBYPDVENP-UHFFFAOYSA-NSynonyms
349440-00-2349440002
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1ccc(cc1)c1sc2c(n1)ccc(c2)C
InChI=1SC23H17N3O5Sc113381920(913)3222(2519)144617(7514)2421(27)151016(23(28)312)1218(1115)26(29)30h312H12H3(H2427)
METHYL3((4(6METHYL13BENZOTHIAZOL2YL)PHENYL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(4(6METHYLBENZOTHIAZOL2YL)PHENYL)CARBAMOYL)3NITROBENZOATE
MFCD02862231
STK096208
ZINC000008721920
ZINC08721920
ZINC8721920
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