Vitas-M small molecule compound
10-bromo-2,7-dioxo-3-phenyl-2,3,5,5a,7,11b-hexahydroisochromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid
Catalog ID
STK585728
SMILES OC(=O)C1Sc2c(C3C1OC(=O)c1c3cc(cc1)Br)sc(=O)n2c1ccccc1
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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 C20H12BrNO5S2 MW 490.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12BrNO5S2/c21-9-6-7-11-12(8-9)13-14(27-19(11)25)16(18(23)24)28-17-15(13)29-20(26)22(17)10-4-2-1-3-5-10/h1-8,13-14,16H,(H,23,24)InChIKey
OREZDCBPAATILW-UHFFFAOYSA-NSynonyms
1177108-98-310bromo27dioxo3phenyl2355a711bhexahydroisochromeno(4345)thiopyrano(23d)(13)thiazole5carboxylicacid
10bromo27dioxo3phenyl2355a711bhexahydroisochromeno(4345)thiopyrano(23d)thiazole5carboxylicacid
1177108983
C1=CC=C(C=C1)N2C3=C(C4C(C(S3)C(=O)O)OC(=O)C5=C4C=C(C=C5)Br)SC2=O
InChI=1SC20H12BrNO5S2c219671112(89)1314(2719(11)25)16(18(23)24)281715(13)2920(26)22(17)104213510h18131416H(H2324)
MFCD04603038
ZINC000004124469
ZINC000013574879
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