Vitas-M small molecule compound
methyl 2-(ethylsulfanyl)-7-methyl-5-(4-nitrophenyl)-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK980893
SMILES CCSc1nc2NC(=C(C(c2c(=O)[nH]1)c1ccc(cc1)[N+](=O)[O-])C(=O)OC)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 C18H18N4O5S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O5S/c1-4-28-18-20-15-14(16(23)21-18)13(12(9(2)19-15)17(24)27-3)10-5-7-11(8-6-10)22(25)26/h5-8,13H,4H2,1-3H3,(H2,19,20,21,23)InChIKey
HKKZFSTZVIXJDN-UHFFFAOYSA-NSynonyms
537004-58-3537004583
CCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OC)C
CCSc1nc2NC(=C(C(c2c(=O)(nH)1)c1ccc(cc1)(N+)(=O)(O))C(=O)OC)C
InChI=1SC18H18N4O5Sc142818201514(16(23)2118)13(12(9(2)1915)17(24)273)105711(8610)22(25)26h5813H4H213H3(H219202123)
methyl2(ethylsulfanyl)7methyl5(4nitrophenyl)4oxo3458tetrahydropyrido(23d)pyrimidine6carboxylate
METHYL2ETHYLSULFANYL7METHYL5(4NITROPHENYL)4OXO58DIHYDRO1HPYRIDO(23D)PYRIMIDINE6CARBOXYLATE
MFCD04457422
ZINC000100821687
ZINC000100821689
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