Vitas-M small molecule compound
methyl 4-chloro-2-({[2-(methylsulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate
Catalog ID
STL079340
SMILES COC(=O)c1ccc(cc1NC(=O)Cn1c(SC)nc2c(c1=O)scc2)Cl
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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 C17H14ClN3O4S2 MW 423.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN3O4S2/c1-25-16(24)10-4-3-9(18)7-12(10)19-13(22)8-21-15(23)14-11(5-6-27-14)20-17(21)26-2/h3-7H,8H2,1-2H3,(H,19,22)InChIKey
QIPBPAFYUZSMSF-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CN2C(=O)C3=C(C=CS3)N=C2SC
InChI=1SC17H14ClN3O4S2c12516(24)10439(18)712(10)1913(22)82115(23)1411(562714)2017(21)262h37H8H212H3(H1922)
methyl4chloro2(((2(methylsulfanyl)4oxothieno(32d)pyrimidin3(4H)yl)acetyl)amino)benzoate
methyl4chloro2((2(2methylsulfanyl4oxothieno(32d)pyrimidin3yl)acetyl)amino)benzoate
MFCD18200542
ZINC000057505214
ZINC57505214
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