Vitas-M small molecule compound
(5Z)-5-{[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]methylidene}-4-[(4-methoxyphenyl)amino]-1,3-thiazol-2(5H)-one
Catalog ID
STL246401
SMILES COc1ccc(cc1)NC1=NC(=O)S/C/1=C\c1c(C)nn(c1C)C1CCS(=O)(=O)C1
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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 C20H22N4O4S2 MW 446.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S2/c1-12-17(13(2)24(23-12)15-8-9-30(26,27)11-15)10-18-19(22-20(25)29-18)21-14-4-6-16(28-3)7-5-14/h4-7,10,15H,8-9,11H2,1-3H3,(H,21,22,25)/b18-10-InChIKey
UKFIQJZYCMSLID-ZDLGFXPLSA-NSynonyms
1351705-09-3(5Z)5((1(11dioxidotetrahydrothiophen3yl)35dimethyl1Hpyrazol4yl)methylidene)4((4methoxyphenyl)amino)13thiazol2(5H)one
(5Z)5((1(11dioxothiolan3yl)35dimethylpyrazol4yl)methylidene)4(4methoxyanilino)13thiazol2one
(Z)5((1(11dioxidotetrahydrothiophen3yl)35dimethyl1Hpyrazol4yl)methylene)4((4methoxyphenyl)amino)thiazol2(5H)one
1351705093
CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)C=C3C(=NC(=O)S3)NC4=CC=C(C=C4)OC
COc1ccc(cc1)NC1=NC(=O)SC1=Cc1c(C)nn(c1C)C1CCS(=O)(=O)C1
InChI=1SC20H22N4O4S2c11217(13(2)24(2312)158930(2627)1115)101819(2220(25)2918)21144616(283)7514h471015H8911H213H3(H212225)b1810
MFCD20536511
ZINC000072401393
ZINC000072401394
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