Vitas-M small molecule compound
2-{[3-(butan-2-yl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylcyclohexyl)acetamide
Catalog ID
STL093851
SMILES CCC(n1c(SCC(=O)NC2CCC(CC2)C)nc2c(c1=O)[nH]c(c2)C)C
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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 C20H30N4O2S MW 390.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H30N4O2S/c1-5-14(4)24-19(26)18-16(10-13(3)21-18)23-20(24)27-11-17(25)22-15-8-6-12(2)7-9-15/h10,12,14-15,21H,5-9,11H2,1-4H3,(H,22,25)InChIKey
FRELBIMCXOYTLB-UHFFFAOYSA-NSynonyms
2((3(butan2yl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(4methylcyclohexyl)acetamide
2((3butan2yl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(4methylcyclohexyl)acetamide
CCC(C)N1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3CCC(CC3)C
CCC(n1c(SCC(=O)NC2CCC(CC2)C)nc2c(c1=O)(nH)c(c2)C)C
InChI=1SC20H30N4O2Sc1514(4)2419(26)1816(1013(3)2118)2320(24)271117(25)22158612(2)7915h1012141521H5911H214H3(H2225)
MFCD18787985
ZINC000067239294
ZINC000067239297
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