Vitas-M small molecule compound
1-(3,4-dimethylphenyl)-2-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanone
Catalog ID
STK913898
SMILES O=C(c1ccc(c(c1)C)C)CSc1nc(O)c2c(n1)sc1c2CCCC1
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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 C20H20N2O2S2 MW 384.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O2S2/c1-11-7-8-13(9-12(11)2)15(23)10-25-20-21-18(24)17-14-5-3-4-6-16(14)26-19(17)22-20/h7-9H,3-6,10H2,1-2H3,(H,21,22,24)InChIKey
WYMOSMPBCOAVKH-UHFFFAOYSA-NSynonyms
1(34dimethylphenyl)2((4hydroxy5678tetrahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)ethanone
2(2(34dimethylphenyl)2oxoethyl)sulfanyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)C
InChI=1SC20H20N2O2S2c1117813(912(11)2)15(23)1025202118(24)1714534616(14)2619(17)2220h79H3610H212H3(H212224)
MFCD03641864
ZINC000018189104
ZINC18189104
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