Vitas-M small molecule compound
ethyl 2-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK300027
SMILES CCOC(=O)c1c(NC=C2C(=O)N(C)C(=O)N(C2=O)C)sc2c1CCCC2
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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 C18H21N3O5S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O5S/c1-4-26-17(24)13-10-7-5-6-8-12(10)27-14(13)19-9-11-15(22)20(2)18(25)21(3)16(11)23/h9,19H,4-8H2,1-3H3InChIKey
JAZQFBWSTXCQJP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=O)N(C(=O)N(C3=O)C)C
ethyl2(((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((13dimethyl246trioxo13diazinan5ylidene)methylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC18H21N3O5Sc142617(24)1310756812(10)2714(13)1991115(22)20(2)18(25)21(3)16(11)23h919H48H213H3
MFCD02909074
ZINC000005958195
ZINC05958195
ZINC5958195
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