Vitas-M small molecule compound
4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 3,6-dichloro-1-benzothiophene-2-carboxylate
Catalog ID
STK821196
SMILES O=C1NC(=O)C(=Cc2ccc(cc2)OC(=O)c2sc3c(c2Cl)ccc(c3)Cl)C(=O)N1
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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 C20H10Cl2N2O5S MW 461.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H10Cl2N2O5S/c21-10-3-6-12-14(8-10)30-16(15(12)22)19(27)29-11-4-1-9(2-5-11)7-13-17(25)23-20(28)24-18(13)26/h1-8H,(H2,23,24,25,26,28)InChIKey
FYHLPZYUSGXCKZ-UHFFFAOYSA-NSynonyms
(4((246trioxo13diazinan5ylidene)methyl)phenyl)36dichloro1benzothiophene2carboxylate
4((246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenyl36dichloro1benzothiophene2carboxylate
C1=CC(=CC=C1C=C2C(=O)NC(=O)NC2=O)OC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl
InChI=1SC20H10Cl2N2O5Sc2110361214(810)3016(15(12)22)19(27)2911419(2511)71317(25)2320(28)2418(13)26h18H(H22324252628)
MFCD03462625
ZINC000026963391
ZINC26963391
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