Vitas-M small molecule compound

ethyl 2-{[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Catalog ID
STK418588
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)OC)sc2c1CCCCCC2

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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 C23H27NO4S MW 413.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO4S/c1-3-28-23(26)21-18-8-6-4-5-7-9-19(18)29-22(21)24-20(25)15-12-16-10-13-17(27-2)14-11-16/h10-15H,3-9H2,1-2H3,(H,24,25)/b15-12+
InChIKey
UZXPZVRSUBJLDQ-NTCAYCPXSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C=CC3=CC=C(C=C3)OC
CCOC(=O)c1c(NC(=O)C=Cc2ccc(cc2)OC)sc2c1CCCCCC2
ethyl2(((2E)3(4methoxyphenyl)prop2enoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2(((E)3(4methoxyphenyl)prop2enoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC23H27NO4Sc132823(26)211886457919(18)2922(21)2420(25)151216101317(272)141116h1015H39H212H3(H2425)b1512+
MFCD01834792
ZINC000002745657
ZINC02745657
ZINC2745657

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.