Vitas-M small molecule compound
(2E)-N-[(2E)-6-nitro-1,3-benzothiazol-2(3H)-ylidene]-3-(4-propoxyphenyl)prop-2-enamide
Catalog ID
STK851314
SMILES CCCOc1ccc(cc1)/C=C/C(=O)/N=c\1/sc2c([nH]1)ccc(c2)[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 C19H17N3O4S MW 383.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O4S/c1-2-11-26-15-7-3-13(4-8-15)5-10-18(23)21-19-20-16-9-6-14(22(24)25)12-17(16)27-19/h3-10,12H,2,11H2,1H3,(H,20,21,23)/b10-5+InChIKey
ZXWQJHBSOBVIFA-BJMVGYQFSA-NSynonyms
433949-49-6(2E)N((2E)6nitro13benzothiazol2(3H)ylidene)3(4propoxyphenyl)prop2enamide
(2E)N(6NITROBENZOTHIAZOL2YL)3(4PROPOXYPHENYL)PROP2ENAMIDE
(E)N(6NITRO13BENZOTHIAZOL2YL)3(4PROPOXYPHENYL)PROP2ENAMIDE
433949496
CCCOC1=CC=C(C=C1)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)(N+)(=O)(O)
CCCOc1ccc(cc1)C=CC(=O)N=c1sc2c((nH)1)ccc(c2)(N+)(=O)(O)
InChI=1SC19H17N3O4Sc121126157313(4815)51018(23)211920169614(22(24)25)1217(16)2719h31012H211H21H3(H202123)b105+
MFCD07208005
ZINC000009012337
ZINC09012337
ZINC9012337
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