Vitas-M small molecule compound
1-(3,4-dimethoxyphenyl)-2-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanone
Catalog ID
STK913905
SMILES COc1cc(ccc1OC)C(=O)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 C20H20N2O4S2 MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O4S2/c1-25-14-8-7-11(9-15(14)26-2)13(23)10-27-20-21-18(24)17-12-5-3-4-6-16(12)28-19(17)22-20/h7-9H,3-6,10H2,1-2H3,(H,21,22,24)InChIKey
MPHFFKSHJZCCTI-UHFFFAOYSA-NSynonyms
1(34dimethoxyphenyl)2((4hydroxy5678tetrahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)ethanone
2(2(34dimethoxyphenyl)2oxoethyl)sulfanyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
COC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OC
InChI=1SC20H20N2O4S2c125148711(915(14)262)13(23)1027202118(24)1712534616(12)2819(17)2220h79H3610H212H3(H212224)
MFCD03641875
ZINC000018056940
ZINC18056940
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