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-(2,3-dihydro-1H-inden-5-yl)acetamide
Catalog ID
STL093840
SMILES CCC(n1c(SCC(=O)Nc2ccc3c(c2)CCC3)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 C22H26N4O2S MW 410.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O2S/c1-4-14(3)26-21(28)20-18(10-13(2)23-20)25-22(26)29-12-19(27)24-17-9-8-15-6-5-7-16(15)11-17/h8-11,14,23H,4-7,12H2,1-3H3,(H,24,27)InChIKey
XSWFGXFCJUMQSU-UHFFFAOYSA-NSynonyms
2((3(butan2yl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(23dihydro1Hinden5yl)acetamide
2((3butan2yl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(23dihydro1Hinden5yl)acetamide
CCC(C)N1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3=CC4=C(CCC4)C=C3
CCC(n1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2c(c1=O)(nH)c(c2)C)C
InChI=1SC22H26N4O2Sc1414(3)2621(28)2018(1013(2)2320)2522(26)291219(27)2417981565716(15)1117h8111423H4712H213H3(H2427)
MFCD18787974
ZINC000067239217
ZINC000067239220
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