Vitas-M small molecule compound
propan-2-yl 2-chloro-5-{[(Z)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate
Catalog ID
STK963073
SMILES CC(OC(=O)c1cc(N/C=C\2/C(=O)NC(=O)N(C2=O)c2ccccc2)ccc1Cl)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 C21H18ClN3O5 MW 427.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O5/c1-12(2)30-20(28)15-10-13(8-9-17(15)22)23-11-16-18(26)24-21(29)25(19(16)27)14-6-4-3-5-7-14/h3-12,23H,1-2H3,(H,24,26,29)/b16-11-InChIKey
HBGGNXOIDFVNSZ-WJDWOHSUSA-NSynonyms
CC(C)OC(=O)C1=C(C=CC(=C1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3)Cl
CC(OC(=O)c1cc(NC=C2C(=O)NC(=O)N(C2=O)c2ccccc2)ccc1Cl)C
InChI=1SC21H18ClN3O5c112(2)3020(28)151013(8917(15)22)23111618(26)2421(29)25(19(16)27)146435714h31223H12H3(H242629)b1611
MFCD01178393
propan2yl2chloro5(((Z)(246trioxo1phenyl13diazinan5ylidene)methyl)amino)benzoate
propan2yl2chloro5(((Z)(246trioxo1phenyltetrahydropyrimidin5(2H)ylidene)methyl)amino)benzoate
ZINC000008430124
ZINC08430124
ZINC8430124
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