Vitas-M small molecule compound

(4aR,7aS)-1-phenyl-4-(3-phenylpropyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one 6,6-dioxide

Catalog ID
STK641885
SMILES O=C1CN(CCCc2ccccc2)[C@@H]2[C@H](N1c1ccccc1)CS(=O)(=O)C2

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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 C21H24N2O3S MW 384.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O3S/c24-21-14-22(13-7-10-17-8-3-1-4-9-17)19-15-27(25,26)16-20(19)23(21)18-11-5-2-6-12-18/h1-6,8-9,11-12,19-20H,7,10,13-16H2/t19-,20+/m0/s1
InChIKey
HLTINCCQQTYHLW-VQTJNVASSA-N
Synonyms
1212445-22-1
(4aR7aS)1phenyl4(3phenylpropyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)66dioxo4phenyl1(3phenylpropyl)4a577atetrahydro2Hthieno(34b)pyrazin3one
1212445221
C1C2C(CS1(=O)=O)N(C(=O)CN2CCCC3=CC=CC=C3)C4=CC=CC=C4
InChI=1SC21H24N2O3Sc24211422(13710178314917)191527(2526)1620(19)23(21)18115261218h168911121920H7101316H2t1920+m0s1
MFCD18246700
O=C1CN(CCCc2ccccc2)(C@@H)2(C@H)(N1c1ccccc1)CS(=O)(=O)C2
ZINC000055408460
ZINC55408460

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Available files

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