Vitas-M small molecule compound
ethyl 2-{[(pyridin-3-ylmethyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK438536
SMILES CCOC(=O)c1c(NC(=S)NCc2cccnc2)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 C20H25N3O2S2 MW 403.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O2S2/c1-2-25-19(24)17-15-9-5-3-4-6-10-16(15)27-18(17)23-20(26)22-13-14-8-7-11-21-12-14/h7-8,11-12H,2-6,9-10,13H2,1H3,(H2,22,23,26)InChIKey
XEIUNOYTFLHPGE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NCC3=CN=CC=C3
ethyl2(((pyridin3ylmethyl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2(pyridin3ylmethylcarbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC20H25N3O2S2c122519(24)1715953461016(15)2718(17)2320(26)2213148711211214h781112H2691013H21H3(H2222326)
MFCD03945499
ZINC000005948029
ZINC05948029
ZINC5948029
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Check stock on Vitas-MAvailable files
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