Vitas-M small molecule compound
3-ethyl-8,8-dimethyl-2-[(4-nitrobenzyl)sulfanyl]-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Catalog ID
STK555160
SMILES CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cc1c(n2)CC(OC1)(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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-4-24-19(26)16-9-14-11-29-21(2,3)10-17(14)22-18(16)23-20(24)30-12-13-5-7-15(8-6-13)25(27)28/h5-9H,4,10-12H2,1-3H3InChIKey
IEWBJPKTHJKEOV-UHFFFAOYSA-NSynonyms
672918-42-23ethyl88dimethyl2((4nitrobenzyl)sulfanyl)3689tetrahydro4Hpyrano(3456)pyrido(23d)pyrimidin4one
3ethyl88dimethyl2((4nitrobenzyl)thio)89dihydro3Hpyrano(3456)pyrido(23d)pyrimidin4(6H)one
3ethyl88dimethyl2((4nitrophenyl)methylsulfanyl)69dihydropyrano(34)pyrido(35b)pyrimidin4one
672918422
CCN1C(=O)C2=CC3=C(CC(OC3)(C)C)N=C2N=C1SCC4=CC=C(C=C4)(N+)(=O)(O)
CCn1c(SCc2ccc(cc2)(N+)(=O)(O))nc2c(c1=O)cc1c(n2)CC(OC1)(C)C
InChI=1SC21H22N4O4Sc142419(26)16914112921(23)1017(14)2218(16)2320(24)3012135715(8613)25(27)28h59H41012H213H3
MFCD04009237
ZINC000013752113
ZINC13752113
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