Vitas-M small molecule compound

methyl [3-(cyclopropylcarbamoyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamate

Catalog ID
STK461809
SMILES COC(=O)Nc1sc2c(c1C(=O)NC1CC1)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 C16H22N2O3S MW 322.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N2O3S/c1-21-16(20)18-15-13(14(19)17-10-8-9-10)11-6-4-2-3-5-7-12(11)22-15/h10H,2-9H2,1H3,(H,17,19)(H,18,20)
InChIKey
ABXUVZRZAUNYLI-UHFFFAOYSA-N
Synonyms

COC(=O)NC1=C(C2=C(S1)CCCCCC2)C(=O)NC3CC3
InChI=1SC16H22N2O3Sc12116(20)181513(14(19)17108910)1164235712(11)2215h10H29H21H3(H1719)(H1820)
methyl(3(cyclopropylcarbamoyl)456789hexahydrocycloocta(b)thiophen2yl)carbamate
methylN(3(cyclopropylcarbamoyl)456789hexahydrocycloocta(b)thiophen2yl)carbamate
MFCD06005291
ZINC000001056429
ZINC01056429
ZINC1056429

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Available files

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