Vitas-M small molecule compound
(2E)-4-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK400461
SMILES COC(=O)c1c(NC(=O)/C=C/C(=O)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 C15H17NO5S MW 323.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17NO5S/c1-21-15(20)13-9-5-3-2-4-6-10(9)22-14(13)16-11(17)7-8-12(18)19/h7-8H,2-6H2,1H3,(H,16,17)(H,18,19)/b8-7+InChIKey
DPFGBWHNUMMBNF-BQYQJAHWSA-NSynonyms
353771-11-6(2E)4((3(methoxycarbonyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)4oxobut2enoicacid
(E)4((3methoxycarbonyl5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)4oxobut2enoicacid
353771116
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C=CC(=O)O
COC(=O)c1c(NC(=O)C=CC(=O)O)sc2c1CCCCC2
InChI=1SC15H17NO5Sc12115(20)1395324610(9)2214(13)1611(17)7812(18)19h78H26H21H3(H1617)(H1819)b87+
MFCD01921633
ZINC000004614042
ZINC4614042
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