Vitas-M small molecule compound

ethyl 2-[(ethoxycarbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Catalog ID
STK450521
SMILES CCOC(=O)Nc1sc2c(c1C(=O)OCC)CCCCCC2

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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 C16H23NO4S MW 325.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23NO4S/c1-3-20-15(18)13-11-9-7-5-6-8-10-12(11)22-14(13)17-16(19)21-4-2/h3-10H2,1-2H3,(H,17,19)
InChIKey
TVRNGOZZANVJFV-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)OCC
ethyl2((ethoxycarbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ETHYL2((ETHOXYCARBONYL)AMINO)4H5H6H7H8H9HCYCLOOCTA(B)THIOPHENE3CARBOXYLATE
ethyl2(ethoxycarbonylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC16H23NO4Sc132015(18)1311975681012(11)2214(13)1716(19)2142h310H212H3(H1719)
MFCD01355288
ZINC000004627712
ZINC04627712
ZINC4627712

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Available files

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