Vitas-M small molecule compound
(2E)-4-[(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid
Catalog ID
STK430145
SMILES CCCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)/C=C/C(=O)O
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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 C16H20N2O4S MW 336.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O4S/c1-2-3-9-4-5-10-11(8-9)23-16(14(10)15(17)22)18-12(19)6-7-13(20)21/h6-7,9H,2-5,8H2,1H3,(H2,17,22)(H,18,19)(H,20,21)/b7-6+InChIKey
AOCWIDBWMPMSEB-VOTSOKGWSA-NSynonyms
(2E)4((3carbamoyl6propyl4567tetrahydro1benzothiophen2yl)amino)4oxobut2enoicacid
(E)4((3carbamoyl6propyl4567tetrahydro1benzothiophen2yl)amino)4oxobut2enoicacid
CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C=CC(=O)O
CCCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)C=CC(=O)O
InChI=1SC16H20N2O4Sc1239451011(89)2316(14(10)15(17)22)1812(19)6713(20)21h679H258H21H3(H21722)(H1819)(H2021)b76+
MFCD01357829
ZINC000005469582
ZINC000005469847
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