Vitas-M small molecule compound
propan-2-yl 2-(butylsulfanyl)-7-methyl-4-oxo-5-phenyl-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK981078
SMILES CCCCSc1nc2NC(=C(C(c2c(=O)[nH]1)c1ccccc1)C(=O)OC(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 C22H27N3O3S MW 413.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O3S/c1-5-6-12-29-22-24-19-18(20(26)25-22)17(15-10-8-7-9-11-15)16(14(4)23-19)21(27)28-13(2)3/h7-11,13,17H,5-6,12H2,1-4H3,(H2,23,24,25,26)InChIKey
IQJASNHNTOVGPX-UHFFFAOYSA-NSynonyms
CCCCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC=CC=C3)C(=O)OC(C)C)C
CCCCSc1nc2NC(=C(C(c2c(=O)(nH)1)c1ccccc1)C(=O)OC(C)C)C
InChI=1SC22H27N3O3Sc156122922241918(20(26)2522)17(15108791115)16(14(4)2319)21(27)2813(2)3h7111317H5612H214H3(H223242526)
MFCD08262256
propan2yl2(butylsulfanyl)7methyl4oxo5phenyl3458tetrahydropyrido(23d)pyrimidine6carboxylate
propan2yl2butylsulfanyl7methyl4oxo5phenyl58dihydro1Hpyrido(23d)pyrimidine6carboxylate
ZINC000008346020
ZINC000008346021
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