Vitas-M small molecule compound

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

Catalog ID
STK638181
SMILES COc1ccc(cc1Cl)N1C(=O)CN([C@@H]2[C@H]1CS(=O)(=O)C2)CCCc1ccccc1

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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 C22H25ClN2O4S MW 448.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25ClN2O4S/c1-29-21-10-9-17(12-18(21)23)25-20-15-30(27,28)14-19(20)24(13-22(25)26)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,19-20H,5,8,11,13-15H2,1H3/t19-,20+/m0/s1
InChIKey
ZGNYLZDVHVDOIU-VQTJNVASSA-N
Synonyms
1214627-11-8
(4aR7aS)1(3chloro4methoxyphenyl)4(3phenylpropyl)hexahydrothieno(34b)pyrazin2(1H)one66dioxide
(4aS7aR)4(3chloro4methoxyphenyl)66dioxo1(3phenylpropyl)4a577atetrahydro2Hthieno(34b)pyrazin3one
1214627118
COC1=C(C=C(C=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CCCC4=CC=CC=C4)Cl
COc1ccc(cc1Cl)N1C(=O)CN((C@@H)2(C@H)1CS(=O)(=O)C2)CCCc1ccccc1
InChI=1SC22H25ClN2O4Sc1292110917(1218(21)23)25201530(2728)1419(20)24(1322(25)26)1158166324716h2467910121920H58111315H21H3t1920+m0s1
MFCD18246639
ZINC000055408674
ZINC55408674

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Available files

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