Vitas-M small molecule compound
5-(1,3-benzodioxol-5-yl)-8,8-dimethyl-2-(prop-2-en-1-ylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918734
SMILES C=CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc2c(c1)OCO2)C(=O)CC(C3)(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 C23H23N3O4S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O4S/c1-4-7-31-22-25-20-19(21(28)26-22)17(12-5-6-15-16(8-12)30-11-29-15)18-13(24-20)9-23(2,3)10-14(18)27/h4-6,8,17H,1,7,9-11H2,2-3H3,(H2,24,25,26,28)InChIKey
VEUSKZRMDWZUKH-UHFFFAOYSA-NSynonyms
627048-15-15(13benzodioxol5yl)88dimethyl2(prop2en1ylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(13benzodioxol5yl)88dimethyl2prop2enylsulfanyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
627048151
C=CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc2c(c1)OCO2)C(=O)CC(C3)(C)C
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC=C)C4=CC5=C(C=C4)OCO5)C(=O)C1)C
InChI=1SC23H23N3O4Sc1473122252019(21(28)2622)17(12561516(812)30112915)1813(2420)923(23)1014(18)27h46817H17911H223H3(H224252628)
MFCD04444002
ZINC000016779324
ZINC000016779326
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