Vitas-M small molecule compound

2-{[4-(diethylamino)benzyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile

Catalog ID
STK997875
SMILES N#Cc1c(NCc2ccc(cc2)N(CC)CC)sc2c1CCCCCCCCCC2

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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 C26H37N3S MW 423.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H37N3S/c1-3-29(4-2)22-17-15-21(16-18-22)20-28-26-24(19-27)23-13-11-9-7-5-6-8-10-12-14-25(23)30-26/h15-18,28H,3-14,20H2,1-2H3
InChIKey
NEFRBHUQPZFFFW-UHFFFAOYSA-N
Synonyms
342381-96-8
2((4(diethylamino)benzyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carbonitrile
2((4(diethylamino)phenyl)methylamino)45678910111213decahydrocyclododeca(b)thiophene3carbonitrile
342381968
CCN(CC)C1=CC=C(C=C1)CNC2=C(C3=C(S2)CCCCCCCCCC3)C#N
InChI=1SC26H37N3Sc1329(42)22171521(161822)20282624(1927)2313119756810121425(23)3026h151828H31420H212H3
MFCD02069047
ZINC000002060347
ZINC02060347
ZINC2060347

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Available files

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