Vitas-M small molecule compound
methyl 4-chloro-2-[({[3-(2-methoxyethyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STL029195
SMILES COCCn1c(SCC(=O)Nc2cc(Cl)ccc2C(=O)OC)nc2c(c1=O)scc2
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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 C19H18ClN3O5S2 MW 467.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O5S2/c1-27-7-6-23-17(25)16-13(5-8-29-16)22-19(23)30-10-15(24)21-14-9-11(20)3-4-12(14)18(26)28-2/h3-5,8-9H,6-7,10H2,1-2H3,(H,21,24)InChIKey
OCPWPCUEQLICJR-UHFFFAOYSA-NSynonyms
COCCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC
InChI=1SC19H18ClN3O5S2c127762317(25)1613(582916)2219(23)301015(24)2114911(20)3412(14)18(26)282h3589H6710H212H3(H2124)
methyl4chloro2((((3(2methoxyethyl)4oxo34dihydrothieno(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
methyl4chloro2((2(3(2methoxyethyl)4oxothieno(32d)pyrimidin2yl)sulfanylacetyl)amino)benzoate
MFCD18189535
ZINC000057425897
ZINC57425897
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