Vitas-M small molecule compound

methyl 2-{[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Catalog ID
STK461799
SMILES COC(=O)c1c(sc2c1CCCCCC2)NC(=O)c1c(C)noc1C

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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 C18H22N2O4S MW 362.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O4S/c1-10-14(11(2)24-20-10)16(21)19-17-15(18(22)23-3)12-8-6-4-5-7-9-13(12)25-17/h4-9H2,1-3H3,(H,19,21)
InChIKey
KEVOLNUSCLHXGD-UHFFFAOYSA-N
Synonyms

CC1=C(C(=NO1)C)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC
InChI=1SC18H22N2O4Sc11014(11(2)242010)16(21)191715(18(22)233)1286457913(12)2517h49H213H3(H1921)
methyl2(((35dimethyl12oxazol4yl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((35dimethyl12oxazole4carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD06005090
ZINC000001055897
ZINC01055897
ZINC1055897

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Available files

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