Vitas-M small molecule compound

ethyl [(2-{4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenoxy}ethyl)sulfanyl]acetate

Catalog ID
STK090471
SMILES CCOC(=O)CSCCOc1ccc(cc1OC)C=C1C(=O)N(C)C(=O)N(C1=O)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 C20H24N2O7S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O7S/c1-5-28-17(23)12-30-9-8-29-15-7-6-13(11-16(15)27-4)10-14-18(24)21(2)20(26)22(3)19(14)25/h6-7,10-11H,5,8-9,12H2,1-4H3
InChIKey
QFHWUXKSOCBVBH-UHFFFAOYSA-N
Synonyms

CCOC(=O)CSCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)N(C2=O)C)C)OC
CCOC(=O)CSCCOc1ccc(cc1OC)C=C1C(=O)N(C)C(=O)N(C1=O)C
ETHYL((2(4((13DIMETHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)ETHYL)SULFANYL)ACETATE
ETHYL2(2(4((13DIMETHYL246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)2METHOXYPHENOXY)ETHYLTHIO)ACETATE
ETHYL2(2(4((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)ETHYLSULFANYL)ACETATE
InChI=1SC20H24N2O7Sc152817(23)12309829157613(1116(15)274)101418(24)21(2)20(26)22(3)19(14)25h671011H58912H214H3
MFCD01873429
STK090471
ZINC000004196121
ZINC04196121
ZINC4196121

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.