Vitas-M small molecule compound
(5Z)-5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]-6-hydroxy-3-(3-methoxypropyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK616491
SMILES COCCCN1C(=O)N=C(/C(=C/2\CC(Sc3c(N2)cccc3)c2ccc(cc2)Cl)/C1=O)O
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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 C23H22ClN3O4S MW 471.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O4S/c1-31-12-4-11-27-22(29)20(21(28)26-23(27)30)17-13-19(14-7-9-15(24)10-8-14)32-18-6-3-2-5-16(18)25-17/h2-3,5-10,19,25H,4,11-13H2,1H3,(H,26,28,30)/b20-17-InChIKey
RFXYYUHOPXJTSU-JZJYNLBNSA-NSynonyms
(5Z)5(2(4chlorophenyl)23dihydro15benzothiazepin4(5H)ylidene)6hydroxy3(3methoxypropyl)pyrimidine24(3H5H)dione
(5Z)5(2(4chlorophenyl)35dihydro2H15benzothiazepin4ylidene)1(3methoxypropyl)13diazinane246trione
COCCCN1C(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC=C(C=C4)Cl)C(=O)NC1=O
COCCCN1C(=O)N=C(C(=C2CC(Sc3c(N2)cccc3)c2ccc(cc2)Cl)C1=O)O
InChI=1SC23H22ClN3O4Sc131124112722(29)20(21(28)2623(27)30)171319(147915(24)10814)3218632516(18)2517h235101925H41113H21H3(H262830)b2017
MFCD07798613
ZINC000009129898
ZINC000009129899
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