Vitas-M small molecule compound
4-{(Z)-[1-(3-chloro-4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenyl 3-methylbenzoate
Catalog ID
STK154002
SMILES Cc1cccc(c1)C(=O)Oc1ccc(cc1)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)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 C26H19ClN2O5 MW 474.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN2O5/c1-15-4-3-5-18(12-15)25(32)34-20-10-7-17(8-11-20)13-21-23(30)28-26(33)29(24(21)31)19-9-6-16(2)22(27)14-19/h3-14H,1-2H3,(H,28,30,33)/b21-13-InChIKey
GTUZRWFZWNEVSV-BKUYFWCQSA-NSynonyms
(4((Z)(1(3chloro4methylphenyl)246trioxo13diazinan5ylidene)methyl)phenyl)3methylbenzoate
4((Z)(1(3CHLORO4METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENYL3METHYLBENZOATE
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)C)C(=O)NC2=O)Cl
Cc1cccc(c1)C(=O)Oc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)Cl)C
InChI=1SC26H19ClN2O5c11543518(1215)25(32)342010717(81120)132123(30)2826(33)29(24(21)31)199616(2)22(27)1419h314H12H3(H283033)b2113
MFCD08673227
ZINC000009720769
ZINC09720769
ZINC9720769
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