Vitas-M small molecule compound

(4E)-2-phenyl-3-(thiophen-2-yl)-4-(thiophen-2-ylmethylidene)-2,3,3a,4,5,6,7,8-octahydrocyclohepta[c]pyrazole

Catalog ID
STK536270
SMILES c1ccc(cc1)N1N=C2C(C1c1cccs1)/C(=C/c1cccs1)/CCCC2

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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 C23H22N2S2 MW 390.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2S2/c1-2-9-18(10-3-1)25-23(21-13-7-15-27-21)22-17(16-19-11-6-14-26-19)8-4-5-12-20(22)24-25/h1-3,6-7,9-11,13-16,22-23H,4-5,8,12H2/b17-16+
InChIKey
IIQDJKCPBKIREC-WUKNDPDISA-N
Synonyms
369610-45-7
(4E)2phenyl3(thiophen2yl)4(thiophen2ylmethylidene)233a45678octahydrocyclohepta(c)pyrazole
(4E)2phenyl3thiophen2yl4(thiophen2ylmethylidene)33a5678hexahydrocyclohepta(c)pyrazole
(E)2phenyl3(thiophen2yl)4(thiophen2ylmethylene)233a45678octahydrocyclohepta(c)pyrazole
369610457
c1ccc(cc1)N1N=C2C(C1c1cccs1)C(=Cc1cccs1)CCCC2
C1CCC2=NN(C(C2C(=CC3=CC=CS3)C1)C4=CC=CS4)C5=CC=CC=C5
InChI=1SC23H22N2S2c12918(1031)2523(21137152721)2217(1619116142619)8451220(22)2425h136791113162223H45812H2b1716+
MFCD01558436
ZINC000004784427
ZINC000031934213

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Available files

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