Vitas-M small molecule compound
2-[(4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzonitrile
Catalog ID
STK192370
SMILES N#Cc1ccccc1COc1ccc(cc1)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)Cl
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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 C25H15Cl2N3O3S MW 508.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H15Cl2N3O3S/c26-20-6-3-7-21(22(20)27)30-24(32)19(23(31)29-25(30)34)12-15-8-10-18(11-9-15)33-14-17-5-2-1-4-16(17)13-28/h1-12H,14H2,(H,29,31,34)/b19-12+InChIKey
XXDSJEHWHZVECD-XDHOZWIPSA-NSynonyms
2((4((E)(1(23DICHLOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((4((E)(1(23DICHLOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
C1=CC=C(C(=C1)COC2=CC=C(C=C2)C=C3C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)Cl)C#N
InChI=1SC25H15Cl2N3O3Sc262063721(22(20)27)3024(32)19(23(31)2925(30)34)121581018(11915)331417521416(17)1328h112H14H2(H293134)b1912+
MFCD03923261
N#Cc1ccccc1COc1ccc(cc1)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)Cl
ZINC000001098451
ZINC01098451
ZINC1098451
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