Vitas-M small molecule compound
(2E)-N-{2-[(2-methoxy-5-nitrobenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-phenylprop-2-enamide
Catalog ID
STK724223
SMILES COc1ccc(cc1CSc1sc2c(n1)ccc(c2)NC(=O)/C=C/c1ccccc1)[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 C24H19N3O4S2 MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O4S2/c1-31-21-11-9-19(27(29)30)13-17(21)15-32-24-26-20-10-8-18(14-22(20)33-24)25-23(28)12-7-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,25,28)/b12-7+InChIKey
SAJAXUXFGTVNAE-KPKJPENVSA-NSynonyms
(2E)N(2((2methoxy5nitrobenzyl)sulfanyl)13benzothiazol6yl)3phenylprop2enamide
(E)N(2((2METHOXY5NITROPHENYL)METHYLSULFANYL)13BENZOTHIAZOL6YL)3PHENYLPROP2ENAMIDE
COC1=C(C=C(C=C1)(N+)(=O)(O))CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C=CC4=CC=CC=C4
COc1ccc(cc1CSc1sc2c(n1)ccc(c2)NC(=O)C=Cc1ccccc1)(N+)(=O)(O)
InChI=1SC24H19N3O4S2c1312111919(27(29)30)1317(21)153224262010818(1422(20)3324)2523(28)127165324616h214H15H21H3(H2528)b127+
MFCD01626377
ZINC000003669349
ZINC03669349
ZINC3669349
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