Vitas-M small molecule compound
4-[(Z)-(1-benzyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-chlorobenzoate
Catalog ID
STK153998
SMILES Clc1ccc(cc1)C(=O)Oc1ccc(cc1)/C=C\1/C(=O)NC(=O)N(C1=O)Cc1ccccc1
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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 C25H17ClN2O5 MW 460.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17ClN2O5/c26-19-10-8-18(9-11-19)24(31)33-20-12-6-16(7-13-20)14-21-22(29)27-25(32)28(23(21)30)15-17-4-2-1-3-5-17/h1-14H,15H2,(H,27,29,32)/b21-14-InChIKey
OMOQLAOEYSOUKN-STZFKDTASA-NSynonyms
(4((Z)(1BENZYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)4CHLOROBENZOATE
4((Z)(1BENZYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENYL4CHLOROBENZOATE
C1=CC=C(C=C1)CN2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Cl)C(=O)NC2=O
Clc1ccc(cc1)C(=O)Oc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)Cc1ccccc1
InChI=1SC25H17ClN2O5c261910818(91119)24(31)332012616(71320)142122(29)2725(32)28(23(21)30)15174213517h114H15H2(H272932)b2114
MFCD08673223
ZINC000009720766
ZINC09720766
ZINC9720766
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