Vitas-M small molecule compound
4-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-ethyl-1H-pyrazole-3-carboxamide
Catalog ID
STL386931
SMILES CCn1nc(c(c1)Cl)C(=O)Nc1sc2c(c1C#N)CCCCCCCCCC2
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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 C21H27ClN4OS MW 418.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN4OS/c1-2-26-14-17(22)19(25-26)20(27)24-21-16(13-23)15-11-9-7-5-3-4-6-8-10-12-18(15)28-21/h14H,2-12H2,1H3,(H,24,27)InChIKey
NFDGZRQDTVPKBH-UHFFFAOYSA-NSynonyms
512815-91-74chloroN(3cyano45678910111213decahydrocyclododeca(b)thiophen2yl)1ethyl1Hpyrazole3carboxamide
4chloroN(3cyano45678910111213decahydrocyclododeca(b)thiophen2yl)1ethylpyrazole3carboxamide
512815917
CCN1C=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCCCCCCCC3)C#N)Cl
InChI=1SC21H27ClN4OSc12261417(22)19(2526)20(27)242116(1323)15119753468101218(15)2821h14H212H21H3(H2427)
MFCD03467285
ZINC000002113090
ZINC02113090
ZINC2113090
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