Vitas-M small molecule compound
propan-2-yl 2-(ethylsulfanyl)-7-methyl-5-(4-nitrophenyl)-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK980940
SMILES CCSc1nc2NC(=C(C(c2c(=O)[nH]1)c1ccc(cc1)[N+](=O)[O-])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 C20H22N4O5S MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O5S/c1-5-30-20-22-17-16(18(25)23-20)15(12-6-8-13(9-7-12)24(27)28)14(11(4)21-17)19(26)29-10(2)3/h6-10,15H,5H2,1-4H3,(H2,21,22,23,25)InChIKey
NUMXVZDGMDLILD-UHFFFAOYSA-NSynonyms
537045-98-0537045980
CCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OC(C)C)C
CCSc1nc2NC(=C(C(c2c(=O)(nH)1)c1ccc(cc1)(N+)(=O)(O))C(=O)OC(C)C)C
InChI=1SC20H22N4O5Sc153020221716(18(25)2320)15(126813(9712)24(27)28)14(11(4)2117)19(26)2910(2)3h61015H5H214H3(H221222325)
MFCD04457424
propan2yl2(ethylsulfanyl)7methyl5(4nitrophenyl)4oxo3458tetrahydropyrido(23d)pyrimidine6carboxylate
PROPAN2YL2ETHYLSULFANYL7METHYL5(4NITROPHENYL)4OXO58DIHYDRO1HPYRIDO(23D)PYRIMIDINE6CARBOXYLATE
ZINC000009415355
ZINC000009415360
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