Vitas-M small molecule compound
ethyl 4-({[3-cyano-4-(furan-2-yl)-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-2-(prop-2-en-1-ylamino)-1,3-thiazole-5-carboxylate
Catalog ID
STL175280
SMILES C=CCNc1sc(c(n1)CSc1nc(cc(c1C#N)c1ccco1)C(F)(F)F)C(=O)OCC
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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 C21H17F3N4O3S2 MW 494.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3N4O3S2/c1-3-7-26-20-27-14(17(33-20)19(29)30-4-2)11-32-18-13(10-25)12(15-6-5-8-31-15)9-16(28-18)21(22,23)24/h3,5-6,8-9H,1,4,7,11H2,2H3,(H,26,27)InChIKey
RZFGJIANQPWKTI-UHFFFAOYSA-NSynonyms
938013-96-8938013968
CCOC(=O)C1=C(N=C(S1)NCC=C)CSC2=C(C(=CC(=N2)C(F)(F)F)C3=CC=CO3)C#N
ethyl4(((3cyano4(furan2yl)6(trifluoromethyl)pyridin2yl)sulfanyl)methyl)2(prop2en1ylamino)13thiazole5carboxylate
ethyl4((3cyano4(furan2yl)6(trifluoromethyl)pyridin2yl)sulfanylmethyl)2(prop2enylamino)13thiazole5carboxylate
InChI=1SC21H17F3N4O3S2c13726202714(17(3320)19(29)3042)11321813(1025)12(156583115)916(2818)21(2223)24h35689H14711H22H3(H2627)
MFCD08553842
ZINC000020607363
ZINC20607363
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