Vitas-M small molecule compound

methyl 8-butyl-4-methyl-5-oxo-3-phenyl-2-thioxo-2,3,5,8-tetrahydropyrido[2,3-d]pyrimidine-7-carboxylate

Catalog ID
STK770459
SMILES CCCCn1c(cc(=O)c2c1nc(=S)n(c2C)c1ccccc1)C(=O)OC

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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 C20H21N3O3S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3S/c1-4-5-11-22-15(19(25)26-3)12-16(24)17-13(2)23(20(27)21-18(17)22)14-9-7-6-8-10-14/h6-10,12H,4-5,11H2,1-3H3
InChIKey
KYYQMKLODQAOLJ-UHFFFAOYSA-N
Synonyms

CCCCN1C(=CC(=O)C2=C(N(C(=S)N=C21)C3=CC=CC=C3)C)C(=O)OC
InChI=1SC20H21N3O3Sc145112215(19(25)263)1216(24)1713(2)23(20(27)2118(17)22)1497681014h61012H4511H213H3
METHYL8BUTYL4METHYL5OXO3PHENYL2SULFANYLIDENEPYRIDO(23D)PYRIMIDINE7CARBOXYLATE
methyl8butyl4methyl5oxo3phenyl2thioxo2358tetrahydropyrido(23d)pyrimidine7carboxylate
MFCD03766189
ZINC000004575158
ZINC04575158
ZINC4575158

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.