Vitas-M small molecule compound
2-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Catalog ID
STK327730
SMILES O=C(Nc1sc2c(c1C(=O)N)CCCCC2)/C=C/c1ccco1
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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 C17H18N2O3S MW 330.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O3S/c18-16(21)15-12-6-2-1-3-7-13(12)23-17(15)19-14(20)9-8-11-5-4-10-22-11/h4-5,8-10H,1-3,6-7H2,(H2,18,21)(H,19,20)/b9-8+InChIKey
XOWLAYWYAHQUCH-CMDGGOBGSA-NSynonyms
2(((2E)3(furan2yl)prop2enoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
2(((E)3(furan2yl)prop2enoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C=CC3=CC=CO3
InChI=1SC17H18N2O3Sc1816(21)15126213713(12)2317(15)1914(20)981154102211h45810H1367H2(H21821)(H1920)b98+
MFCD01340239
O=C(Nc1sc2c(c1C(=O)N)CCCCC2)C=Cc1ccco1
ZINC000000558595
ZINC00558595
ZINC558595
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