Vitas-M small molecule compound
(2E)-N-(1,3-benzothiazol-2-yl)-3-[3-chloro-5-methoxy-4-(3-phenoxypropoxy)phenyl]-2-cyanoprop-2-enamide
Catalog ID
STK383005
SMILES N#C/C(=C\c1cc(Cl)c(c(c1)OC)OCCCOc1ccccc1)/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 C27H22ClN3O4S MW 520.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O4S/c1-33-23-16-18(15-21(28)25(23)35-13-7-12-34-20-8-3-2-4-9-20)14-19(17-29)26(32)31-27-30-22-10-5-6-11-24(22)36-27/h2-6,8-11,14-16H,7,12-13H2,1H3,(H,30,31,32)/b19-14+InChIKey
QWXANYQENZEUFX-XMHGGMMESA-NSynonyms
(2E)N(13benzothiazol2yl)3(3chloro5methoxy4(3phenoxypropoxy)phenyl)2cyanoprop2enamide
(2E)NBENZOTHIAZOL2YL3(3CHLORO5METHOXY4(3PHENOXYPROPOXY)PHENYL)2CYANOPROP2ENAMIDE
(E)N(13BENZOTHIAZOL2YL)3(3CHLORO5METHOXY4(3PHENOXYPROPOXY)PHENYL)2CYANOPROP2ENAMIDE
COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=NC3=CC=CC=C3S2)Cl)OCCCOC4=CC=CC=C4
InChI=1SC27H22ClN3O4Sc133231618(1521(28)25(23)351371234208324920)1419(1729)26(32)3127302210561124(22)3627h268111416H71213H21H3(H303132)b1914+
MFCD03835442
N#CC(=Cc1cc(Cl)c(c(c1)OC)OCCCOc1ccccc1)C(=O)Nc1nc2c(s1)cccc2
ZINC000015945536
ZINC15945536
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