Vitas-M small molecule compound
3-butyl-6-methyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Catalog ID
STL093705
SMILES CCCCn1c(SCC(=O)N2CCOc3c2cc(C)cc3)nc2c(c1=O)[nH]c(c2)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 C22H26N4O3S MW 426.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O3S/c1-4-5-8-26-21(28)20-16(12-15(3)23-20)24-22(26)30-13-19(27)25-9-10-29-18-7-6-14(2)11-17(18)25/h6-7,11-12,23H,4-5,8-10,13H2,1-3H3InChIKey
BLRVWGPDLVJTND-UHFFFAOYSA-NSynonyms
3butyl6methyl2((2(6methyl23dihydro4H14benzoxazin4yl)2oxoethyl)sulfanyl)35dihydro4Hpyrrolo(32d)pyrimidin4one
3butyl6methyl2(2(6methyl23dihydro14benzoxazin4yl)2oxoethyl)sulfanyl5Hpyrrolo(32d)pyrimidin4one
CCCCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)N3CCOC4=C3C=C(C=C4)C
CCCCn1c(SCC(=O)N2CCOc3c2cc(C)cc3)nc2c(c1=O)(nH)c(c2)C
InChI=1SC22H26N4O3Sc14582621(28)2016(1215(3)2320)2422(26)301319(27)2591029187614(2)1117(18)25h67111223H4581013H213H3
MFCD18787839
ZINC000067238482
ZINC67238482
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