Vitas-M small molecule compound
7-(5-ethylthiophen-2-yl)-1-(3-methoxypropyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL179665
SMILES COCCCn1c(S)nc(=O)c2c1nc(cc2C(F)(F)F)c1ccc(s1)CC
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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 C18H18F3N3O2S2 MW 429.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18F3N3O2S2/c1-3-10-5-6-13(28-10)12-9-11(18(19,20)21)14-15(22-12)24(7-4-8-26-2)17(27)23-16(14)25/h5-6,9H,3-4,7-8H2,1-2H3,(H,23,25,27)InChIKey
KMAPDJTXGMXJKI-UHFFFAOYSA-NSynonyms
7(5ethylthiophen2yl)1(3methoxypropyl)2sulfanyl5(trifluoromethyl)pyrido(23d)pyrimidin4(1H)one
7(5ethylthiophen2yl)1(3methoxypropyl)2sulfanylidene5(trifluoromethyl)pyrido(23d)pyrimidin4one
CCC1=CC=C(S1)C2=NC3=C(C(=C2)C(F)(F)F)C(=O)NC(=S)N3CCCOC
InChI=1SC18H18F3N3O2S2c13105613(2810)12911(18(1920)21)1415(2212)24(748262)17(27)2316(14)25h569H3478H212H3(H232527)
MFCD09469243
ZINC000020605593
ZINC20605593
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