Vitas-M small molecule compound
methyl 4-{[(6-oxo-6,9-dihydro-1H-purin-2-yl)sulfanyl]methyl}benzoate
Catalog ID
STK666641
SMILES COC(=O)c1ccc(cc1)CSc1[nH]c(=O)c2c(n1)[nH]cn2
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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 C14H12N4O3S MW 316.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N4O3S/c1-21-13(20)9-4-2-8(3-5-9)6-22-14-17-11-10(12(19)18-14)15-7-16-11/h2-5,7H,6H2,1H3,(H2,15,16,17,18,19)InChIKey
DHYMNFSSFKFWBG-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)N=CN3
COC(=O)c1ccc(cc1)CSc1(nH)c(=O)c2c(n1)(nH)cn2
InChI=1SC14H12N4O3Sc12113(20)9428(359)62214171110(12(19)1814)1571611h257H6H21H3(H21516171819)
methyl4(((6oxo69dihydro1Hpurin2yl)sulfanyl)methyl)benzoate
methyl4((6oxo37dihydropurin2yl)sulfanylmethyl)benzoate
METHYL4((6OXOHYDROPURIN2YLTHIO)METHYL)BENZOATE
MFCD10038601
ZINC000015084160
ZINC15084160
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