Vitas-M small molecule compound
4-[(4R)-3-(3-chlorophenyl)-4,6,6-trimethyl-2-thioxohexahydropyrimidin-4-yl]benzene-1,3-diyl diacetate
Catalog ID
STK379856
SMILES CC(=O)Oc1cc(ccc1[C@@]1(C)CC(C)(C)NC(=S)N1c1cccc(c1)Cl)OC(=O)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 C23H25ClN2O4S MW 460.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN2O4S/c1-14(27)29-18-9-10-19(20(12-18)30-15(2)28)23(5)13-22(3,4)25-21(31)26(23)17-8-6-7-16(24)11-17/h6-12H,13H2,1-5H3,(H,25,31)/t23-/m1/s1InChIKey
QLXPDCRPMCTZEX-HSZRJFAPSA-NSynonyms
(3ACETYLOXY4((4R)3(3CHLOROPHENYL)466TRIMETHYL2SULFANYLIDENE13DIAZINAN4YL)PHENYL)ACETATE
2((4R)3(3CHLOROPHENYL)466TRIMETHYL2THIOXO(13DIAZAPERHYDROIN4YL))5ACETYLOXYPHENYLACETATE
4((4R)3(3chlorophenyl)466trimethyl2thioxohexahydropyrimidin4yl)benzene13diyldiacetate
CC(=O)OC1=CC(=C(C=C1)C2(CC(NC(=S)N2C3=CC(=CC=C3)Cl)(C)C)C)OC(=O)C
CC(=O)Oc1cc(ccc1(C@@)1(C)CC(C)(C)NC(=S)N1c1cccc(c1)Cl)OC(=O)C
InChI=1SC23H25ClN2O4Sc114(27)291891019(20(1218)3015(2)28)23(5)1322(34)2521(31)26(23)1786716(24)1117h612H13H215H3(H2531)t23m1s1
ZINC000004081541
ZINC04081541
ZINC4081541
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