Vitas-M small molecule compound
(2E)-N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide
Catalog ID
STK163363
SMILES O=C(Nc1cccc(c1C)c1nc2c(s1)cccc2)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C23H16ClN3O3S MW 449.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClN3O3S/c1-14-16(23-26-19-6-2-3-8-21(19)31-23)5-4-7-18(14)25-22(28)12-10-15-9-11-17(24)20(13-15)27(29)30/h2-13H,1H3,(H,25,28)/b12-10+InChIKey
ANWLMHIFRYUSRS-ZRDIBKRKSA-NSynonyms
(2E)N(3(13BENZOTHIAZOL2YL)2METHYLPHENYL)3(4CHLORO3NITROPHENYL)PROP2ENAMIDE
(E)N(3(13BENZOTHIAZOL2YL)2METHYLPHENYL)3(4CHLORO3NITROPHENYL)PROP2ENAMIDE
CC1=C(C=CC=C1NC(=O)C=CC2=CC(=C(C=C2)Cl)(N+)(=O)(O))C3=NC4=CC=CC=C4S3
InChI=1SC23H16ClN3O3Sc11416(232619623821(19)3123)54718(14)2522(28)12101591117(24)20(1315)27(29)30h213H1H3(H2528)b1210+
MFCD03060730
O=C(Nc1cccc(c1C)c1nc2c(s1)cccc2)C=Cc1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000009846199
ZINC09846199
ZINC9846199
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