Vitas-M small molecule compound
N-methyl-2-{[6-methyl-3-(3-methylbutyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Catalog ID
STL093618
SMILES CC(CCn1c(SCC(=O)N(c2cccc(c2)C)C)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 C22H28N4O2S MW 412.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O2S/c1-14(2)9-10-26-21(28)20-18(12-16(4)23-20)24-22(26)29-13-19(27)25(5)17-8-6-7-15(3)11-17/h6-8,11-12,14,23H,9-10,13H2,1-5H3InChIKey
KBGJCQGCCQSRKL-UHFFFAOYSA-NSynonyms
CC(CCn1c(SCC(=O)N(c2cccc(c2)C)C)nc2c(c1=O)(nH)c(c2)C)C
CC1=CC(=CC=C1)N(C)C(=O)CSC2=NC3=C(C(=O)N2CCC(C)C)NC(=C3)C
InChI=1SC22H28N4O2Sc114(2)9102621(28)2018(1216(4)2320)2422(26)291319(27)25(5)1786715(3)1117h6811121423H91013H215H3
MFCD18787752
Nmethyl2((6methyl3(3methylbutyl)4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(3methylphenyl)acetamide
Nmethyl2((6methyl3(3methylbutyl)4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(3methylphenyl)acetamide
ZINC000067238182
ZINC67238182
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