Vitas-M small molecule compound
(3Z)-1-benzyl-3-{[(5-chloro-2,4-dimethoxyphenyl)amino]methylidene}-1H-thieno[3,2-c][1,2]thiazin-4(3H)-one 2,2-dioxide
Catalog ID
STL081855
SMILES COc1cc(OC)c(cc1N/C=C\1/C(=O)c2sccc2N(S1(=O)=O)Cc1ccccc1)Cl
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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 C22H19ClN2O5S2 MW 490.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN2O5S2/c1-29-18-11-19(30-2)16(10-15(18)23)24-12-20-21(26)22-17(8-9-31-22)25(32(20,27)28)13-14-6-4-3-5-7-14/h3-12,24H,13H2,1-2H3/b20-12-InChIKey
BTRGMCSYLJERAU-NDENLUEZSA-NSynonyms
894672-52-7(3Z)1benzyl3(((5chloro24dimethoxyphenyl)amino)methylidene)1Hthieno(32c)(12)thiazin4(3H)one22dioxide
(3Z)1benzyl3((5chloro24dimethoxyanilino)methylidene)22dioxothieno(32c)thiazin4one
894672527
COC1=CC(=C(C=C1NC=C2C(=O)C3=C(C=CS3)N(S2(=O)=O)CC4=CC=CC=C4)Cl)OC
COc1cc(OC)c(cc1NC=C1C(=O)c2sccc2N(S1(=O)=O)Cc1ccccc1)Cl
InChI=1SC22H19ClN2O5S2c129181119(302)16(1015(18)23)24122021(26)2217(893122)25(32(2027)28)13146435714h31224H13H212H3b2012
MFCD14930722
ZINC000020575656
ZINC20575656
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