Vitas-M small molecule compound

(4-tert-butylphenyl)[(7Z)-3-(thiophen-2-yl)-7-(thiophen-2-ylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone

Catalog ID
STL286793
SMILES O=C(N1N=C2C(C1c1cccs1)CCC/C/2=C/c1cccs1)c1ccc(cc1)C(C)(C)C

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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 C27H28N2OS2 MW 460.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2OS2/c1-27(2,3)20-13-11-18(12-14-20)26(30)29-25(23-10-6-16-32-23)22-9-4-7-19(24(22)28-29)17-21-8-5-15-31-21/h5-6,8,10-17,22,25H,4,7,9H2,1-3H3/b19-17-
InChIKey
YPDVPDLZWSQXQD-ZPHPHTNESA-N
Synonyms

(4tertbutylphenyl)((7Z)3(thiophen2yl)7(thiophen2ylmethylidene)33a4567hexahydro2Hindazol2yl)methanone
(4tertbutylphenyl)((7Z)3thiophen2yl7(thiophen2ylmethylidene)3a456tetrahydro3Hindazol2yl)methanone
CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(C3CCCC(=CC4=CC=CS4)C3=N2)C5=CC=CS5
InChI=1SC27H28N2OS2c127(23)20131118(121420)26(30)2925(23106163223)2294719(24(22)2829)172185153121h56810172225H479H213H3b1917
MFCD03613256
O=C(N1N=C2C(C1c1cccs1)CCCC2=Cc1cccs1)c1ccc(cc1)C(C)(C)C
ZINC000033473122
ZINC000039404515

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Available files

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