Vitas-M small molecule compound

methyl 2-({[5-chloro-2-(prop-2-en-1-ylsulfanyl)pyrimidin-4-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STK911791
SMILES C=CCSc1ncc(c(n1)C(=O)Nc1sc2c(c1C(=O)OC)CCC2)Cl

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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 C17H16ClN3O3S2 MW 409.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClN3O3S2/c1-3-7-25-17-19-8-10(18)13(20-17)14(22)21-15-12(16(23)24-2)9-5-4-6-11(9)26-15/h3,8H,1,4-7H2,2H3,(H,21,22)
InChIKey
UHOKASKDFMBXAQ-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=NC(=NC=C3Cl)SCC=C
InChI=1SC17H16ClN3O3S2c137251719810(18)13(2017)14(22)211512(16(23)242)954611(9)2615h38H147H22H3(H2122)
methyl2(((5chloro2(prop2en1ylsulfanyl)pyrimidin4yl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
methyl2((5chloro2prop2enylsulfanylpyrimidine4carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
MFCD07426730
ZINC000006748089
ZINC06748089
ZINC6748089

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Available files

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