Vitas-M small molecule compound
propan-2-yl 2-(butylsulfanyl)-5-(4-chlorophenyl)-7-methyl-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK980946
SMILES CCCCSc1nc2NC(=C(C(c2c(=O)[nH]1)c1ccc(cc1)Cl)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 C22H26ClN3O3S MW 447.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClN3O3S/c1-5-6-11-30-22-25-19-18(20(27)26-22)17(14-7-9-15(23)10-8-14)16(13(4)24-19)21(28)29-12(2)3/h7-10,12,17H,5-6,11H2,1-4H3,(H2,24,25,26,27)InChIKey
ACHMVQJBMHDDAJ-UHFFFAOYSA-NSynonyms
CCCCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC=C(C=C3)Cl)C(=O)OC(C)C)C
CCCCSc1nc2NC(=C(C(c2c(=O)(nH)1)c1ccc(cc1)Cl)C(=O)OC(C)C)C
InChI=1SC22H26ClN3O3Sc156113022251918(20(27)2622)17(147915(23)10814)16(13(4)2419)21(28)2912(2)3h7101217H5611H214H3(H224252627)
MFCD07803259
propan2yl2(butylsulfanyl)5(4chlorophenyl)7methyl4oxo3458tetrahydropyrido(23d)pyrimidine6carboxylate
propan2yl2butylsulfanyl5(4chlorophenyl)7methyl4oxo58dihydro1Hpyrido(23d)pyrimidine6carboxylate
ZINC000017271126
ZINC000017271131
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