Vitas-M small molecule compound
(5Z)-2-(azepan-1-yl)-5-({3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-1,3-thiazol-4(5H)-one
Catalog ID
STK703018
SMILES CC(CCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCCCCC1)c1ccccc1)C
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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 C31H36N4O2S MW 528.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O2S/c1-22(2)15-18-37-27-14-13-24(19-23(27)3)29-25(21-35(33-29)26-11-7-6-8-12-26)20-28-30(36)32-31(38-28)34-16-9-4-5-10-17-34/h6-8,11-14,19-22H,4-5,9-10,15-18H2,1-3H3/b28-20-InChIKey
DDWVIWKTTOYSBH-RRAHZORUSA-NSynonyms
(5Z)2(azepan1yl)5((3(3methyl4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)13thiazol4(5H)one
(5Z)2(AZEPAN1YL)5((3(3METHYL4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)13THIAZOL4ONE
(E)2(azepan1yl)5((3(4(isopentyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)thiazol4(5H)one
CC(CCOc1ccc(cc1C)c1nn(cc1C=C1SC(=NC1=O)N1CCCCCC1)c1ccccc1)C
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCCC4)C5=CC=CC=C5)OCCC(C)C
InChI=1SC31H36N4O2Sc122(2)15183727141324(1923(27)3)2925(2135(3329)26117681226)202830(36)3231(3828)3416945101734h6811141922H459101518H213H3b2820
MFCD03417011
ZINC000026687637
ZINC26687637
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