Vitas-M small molecule compound
2-({(2Z)-3-chloro-2-[(4-methylphenyl)sulfanyl]prop-2-en-1-yl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL079806
SMILES Cl/C=C(\Sc1ccc(cc1)C)/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 C20H19ClN2OS3 MW 435.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2OS3/c1-12-6-8-13(9-7-12)26-14(10-21)11-25-20-22-18(24)17-15-4-2-3-5-16(15)27-19(17)23-20/h6-10H,2-5,11H2,1H3,(H,22,23,24)/b14-10-InChIKey
AMPPSGBDTDFKMW-UVTDQMKNSA-NSynonyms
2(((2Z)3chloro2((4methylphenyl)sulfanyl)prop2en1yl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((Z)3chloro2(4methylphenyl)sulfanylprop2enyl)sulfanyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1=CC=C(C=C1)SC(=CCl)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2
ClC=C(Sc1ccc(cc1)C)CSc1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC20H19ClN2OS3c1126813(9712)2614(1021)1125202218(24)1715423516(15)2719(17)2320h610H2511H21H3(H222324)b1410
MFCD18200611
ZINC000057505520
ZINC57505520
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