Vitas-M small molecule compound
2-{[(2Z)-3-chloro-2-(phenylsulfanyl)prop-2-en-1-yl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL079792
SMILES Cl/C=C(\Sc1ccccc1)/CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3
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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 C19H17ClN2OS3 MW 421.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN2OS3/c20-10-13(25-12-6-2-1-3-7-12)11-24-19-21-17(23)16-14-8-4-5-9-15(14)26-18(16)22-19/h1-3,6-7,10H,4-5,8-9,11H2,(H,21,22,23)/b13-10-InChIKey
BGGRLSWEOMUGLS-RAXLEYEMSA-NSynonyms
2(((2Z)3chloro2(phenylsulfanyl)prop2en1yl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((Z)3chloro2phenylsulfanylprop2enyl)sulfanyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCC(=CCl)SC4=CC=CC=C4
ClC=C(Sc1ccccc1)CSc1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC19H17ClN2OS3c201013(25126213712)1124192117(23)1614845915(14)2618(16)2219h136710H458911H2(H212223)b1310
MFCD18200609
ZINC000057505508
ZINC57505508
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