Vitas-M small molecule compound
N-benzyl-2-{[3-(butan-2-yl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-ethylacetamide
Catalog ID
STL093771
SMILES CCC(n1c(SCC(=O)N(Cc2ccccc2)CC)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/c1-5-16(4)26-21(28)20-18(12-15(3)23-20)24-22(26)29-14-19(27)25(6-2)13-17-10-8-7-9-11-17/h7-12,16,23H,5-6,13-14H2,1-4H3InChIKey
IHPWZCHJGIHTFK-UHFFFAOYSA-NSynonyms
CCC(C)N1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)N(CC)CC3=CC=CC=C3
CCC(n1c(SCC(=O)N(Cc2ccccc2)CC)nc2c(c1=O)(nH)c(c2)C)C
InChI=1SC22H28N4O2Sc1516(4)2621(28)2018(1215(3)2320)2422(26)291419(27)25(62)1317108791117h7121623H561314H214H3
MFCD18787905
Nbenzyl2((3(butan2yl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)Nethylacetamide
Nbenzyl2((3butan2yl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)Nethylacetamide
ZINC000067238812
ZINC000067238817
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