Vitas-M small molecule compound
ethyl 2-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK052707
SMILES CCOC(=O)c1c(NC=C2C(=O)NC(=O)NC2=O)sc2c1CCCCC2
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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 C17H19N3O5S MW 377.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O5S/c1-2-25-16(23)12-9-6-4-3-5-7-11(9)26-15(12)18-8-10-13(21)19-17(24)20-14(10)22/h8,18H,2-7H2,1H3,(H2,19,20,21,22,24)InChIKey
DXWWNLQDNUTOKN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC=C3C(=O)NC(=O)NC3=O
CCOC(=O)c1c(NC=C2C(=O)NC(=O)NC2=O)sc2c1CCCCC2
ethyl2(((246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((246trioxo13diazinan5ylidene)methylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC17H19N3O5Sc122516(23)1296435711(9)2615(12)1881013(21)1917(24)2014(10)22h818H27H21H3(H21920212224)
MFCD03569866
STK052707
ZINC000009088490
ZINC09088490
ZINC9088490
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