Vitas-M small molecule compound
2-[(3-butyl-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Catalog ID
STL093679
SMILES CCCCn1c(SCC(=O)Nc2c(C)cc(cc2C)C)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 C22H28N4O2S MW 412.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O2S/c1-6-7-8-26-21(28)20-17(11-16(5)23-20)24-22(26)29-12-18(27)25-19-14(3)9-13(2)10-15(19)4/h9-11,23H,6-8,12H2,1-5H3,(H,25,27)InChIKey
XXHQDEJHECADNY-UHFFFAOYSA-NSynonyms
2((3butyl6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(246trimethylphenyl)acetamide
2((3butyl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(246trimethylphenyl)acetamide
CCCCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3=C(C=C(C=C3C)C)C
CCCCn1c(SCC(=O)Nc2c(C)cc(cc2C)C)nc2c(c1=O)(nH)c(c2)C
InChI=1SC22H28N4O2Sc16782621(28)2017(1116(5)2320)2422(26)291218(27)251914(3)913(2)1015(19)4h91123H6812H215H3(H2527)
MFCD18787813
ZINC000067238398
ZINC67238398
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