Vitas-M small molecule compound
N-(2-ethoxyphenyl)-2-{[6-methyl-3-(3-methylbutyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL093593
SMILES CCOc1ccccc1NC(=O)CSc1nc2cc([nH]c2c(=O)n1CCC(C)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 C22H28N4O3S MW 428.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O3S/c1-5-29-18-9-7-6-8-16(18)24-19(27)13-30-22-25-17-12-15(4)23-20(17)21(28)26(22)11-10-14(2)3/h6-9,12,14,23H,5,10-11,13H2,1-4H3,(H,24,27)InChIKey
KIOIXVMIARUIKO-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2CCC(C)C)NC(=C3)C
CCOc1ccccc1NC(=O)CSc1nc2cc((nH)c2c(=O)n1CCC(C)C)C
InChI=1SC22H28N4O3Sc152918976816(18)2419(27)13302225171215(4)2320(17)21(28)26(22)111014(2)3h69121423H5101113H214H3(H2427)
MFCD18787727
N(2ethoxyphenyl)2((6methyl3(3methylbutyl)4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(2ethoxyphenyl)2((6methyl3(3methylbutyl)4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067238057
ZINC67238057
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