Vitas-M small molecule compound
2-{[(4-chloro-3,5-dimethylphenoxy)acetyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Catalog ID
STK419986
SMILES O=C(Nc1sc2c(c1C(=O)N)CCCCCC2)COc1cc(C)c(c(c1)C)Cl
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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 C21H25ClN2O3S MW 420.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN2O3S/c1-12-9-14(10-13(2)19(12)22)27-11-17(25)24-21-18(20(23)26)15-7-5-3-4-6-8-16(15)28-21/h9-10H,3-8,11H2,1-2H3,(H2,23,26)(H,24,25)InChIKey
SNUBXNNPOAFAKM-UHFFFAOYSA-NSynonyms
2(((4chloro35dimethylphenoxy)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
2((2(4chloro35dimethylphenoxy)acetyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)N
InChI=1SC21H25ClN2O3Sc112914(1013(2)19(12)22)271117(25)242118(20(23)26)1575346816(15)2821h910H3811H212H3(H22326)(H2425)
MFCD03759456
ZINC000000657452
ZINC00657452
ZINC657452
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