Vitas-M small molecule compound
(2E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-{3-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}prop-2-enamide
Catalog ID
STK039509
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCCOc1ccc(cc1)C)/C(=O)Nc1nc2c(s1)cccc2
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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 C27H23N3O4S MW 485.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O4S/c1-18-7-10-21(11-8-18)33-13-14-34-23-12-9-19(16-24(23)32-2)15-20(17-28)26(31)30-27-29-22-5-3-4-6-25(22)35-27/h3-12,15-16H,13-14H2,1-2H3,(H,29,30,31)/b20-15+InChIKey
VLWLDGQQZBPZIX-HMMYKYKNSA-NSynonyms
(2E)N(13BENZOTHIAZOL2YL)2CYANO3(3METHOXY4(2(4METHYLPHENOXY)ETHOXY)PHENYL)PROP2ENAMIDE
(E)N(13BENZOTHIAZOL2YL)2CYANO3(3METHOXY4(2(4METHYLPHENOXY)ETHOXY)PHENYL)PROP2ENAMIDE
CC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=NC4=CC=CC=C4S3)OC
InChI=1SC27H23N3O4Sc11871021(11818)331314342312919(1624(23)322)1520(1728)26(31)30272922534625(22)3527h3121516H1314H212H3(H293031)b2015+
MFCD05978618
N#CC(=Cc1ccc(c(c1)OC)OCCOc1ccc(cc1)C)C(=O)Nc1nc2c(s1)cccc2
STK039509
ZINC000009425458
ZINC09425458
ZINC9425458
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