Vitas-M small molecule compound
methyl 4-{(3E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-[hydroxy(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STK616451
SMILES COc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)C(=O)OC)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)/O
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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 C29H24N2O6S MW 528.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O6S/c1-4-16-5-14-21-22(15-16)38-29(30-21)31-24(17-6-8-19(9-7-17)28(35)37-3)23(26(33)27(31)34)25(32)18-10-12-20(36-2)13-11-18/h5-15,24,32H,4H2,1-3H3/b25-23+InChIKey
QRKDZDIQXVURDW-WJTDDFOZSA-NSynonyms
618421-60-6618421606
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)OC)O)C(=O)C3=O)C5=CC=C(C=C5)C(=O)OC
COc1ccc(cc1)C(=C1C(c2ccc(cc2)C(=O)OC)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)O
InChI=1SC29H24N2O6Sc14165142122(1516)3829(3021)3124(176819(9717)28(35)373)23(26(33)27(31)34)25(32)18101220(362)131118h5152432H4H213H3b2523+
methyl4((3E)1(6ethyl13benzothiazol2yl)3(hydroxy(4methoxyphenyl)methylidene)45dioxopyrrolidin2yl)benzoate
METHYL4(1(6ETHYLBENZOTHIAZOL2YL)4HYDROXY3((4METHOXYPHENYL)CARBONYL)5OXO3PYRROLIN2YL)BENZOATE
MFCD08732799
ZINC000102715253
ZINC000102715257
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