Vitas-M small molecule compound

3a,6,6-trimethyl-9-(4-methylphenyl)-3-nitro-2,3,3a,5,6,7,9,9a-octahydro-8H-thieno[3,2-b]chromen-8-one 1,1-dioxide

Catalog ID
STL324523
SMILES Cc1ccc(cc1)C1C2=C(CC(CC2=O)(C)C)OC2(C1S(=O)(=O)CC2[N+](=O)[O-])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 C21H25NO6S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO6S/c1-12-5-7-13(8-6-12)17-18-14(23)9-20(2,3)10-15(18)28-21(4)16(22(24)25)11-29(26,27)19(17)21/h5-8,16-17,19H,9-11H2,1-4H3
InChIKey
IZDMXNTUZUAPBC-UHFFFAOYSA-N
Synonyms
459791-33-4
3a66trimethyl3nitro9(ptolyl)33a6799ahexahydro2Hthieno(32b)chromen8(5H)one11dioxide
3a66trimethyl9(4methylphenyl)3nitro11dioxo235799ahexahydrothieno(32b)chromen8one
3a66trimethyl9(4methylphenyl)3nitro233a56799aoctahydro8Hthieno(32b)chromen8one11dioxide
459791334
CC1=CC=C(C=C1)C2C3C(C(CS3(=O)=O)(N+)(=O)(O))(OC4=C2C(=O)CC(C4)(C)C)C
Cc1ccc(cc1)C1C2=C(CC(CC2=O)(C)C)OC2(C1S(=O)(=O)CC2(N+)(=O)(O))C
InChI=1SC21H25NO6Sc1125713(8612)171814(23)920(23)1015(18)2821(4)16(22(24)25)1129(2627)19(17)21h58161719H911H214H3
MFCD01087320
ZINC000004784672
ZINC000226852275

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Available files

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