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-(5-chloro-2,4-dimethoxyphenyl)acetamide
Catalog ID
STL093798
SMILES CCC(n1c(SCC(=O)Nc2cc(Cl)c(cc2OC)OC)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 C21H25ClN4O4S MW 464.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN4O4S/c1-6-12(3)26-20(28)19-15(7-11(2)23-19)25-21(26)31-10-18(27)24-14-8-13(22)16(29-4)9-17(14)30-5/h7-9,12,23H,6,10H2,1-5H3,(H,24,27)InChIKey
WOEJRQAABKQTBT-UHFFFAOYSA-NSynonyms
2((3(butan2yl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(5chloro24dimethoxyphenyl)acetamide
2((3butan2yl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(5chloro24dimethoxyphenyl)acetamide
CCC(C)N1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3=CC(=C(C=C3OC)OC)Cl
CCC(n1c(SCC(=O)Nc2cc(Cl)c(cc2OC)OC)nc2c(c1=O)(nH)c(c2)C)C
InChI=1SC21H25ClN4O4Sc1612(3)2620(28)1915(711(2)2319)2521(26)311018(27)2414813(22)16(294)917(14)305h791223H610H215H3(H2427)
MFCD18787932
ZINC000067238981
ZINC000067238985
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