Vitas-M small molecule compound
3-[(5Z)-5-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalen-2-yl acetate
Catalog ID
STK821346
SMILES COc1ccc(cc1Br)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1cc2ccccc2cc1OC(=O)C)c1ccccc1
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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 C33H22BrN5O4S MW 664.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H22BrN5O4S/c1-19(40)43-28-16-21-9-7-6-8-20(21)14-25(28)31-35-33-39(37-31)32(41)29(44-33)17-23-18-38(24-10-4-3-5-11-24)36-30(23)22-12-13-27(42-2)26(34)15-22/h3-18H,1-2H3/b29-17-InChIKey
JKAGXMBYSOBVFL-RHANQZHGSA-NSynonyms
(3((5Z)5((3(3bromo4methoxyphenyl)1phenylpyrazol4yl)methylidene)6oxo(13)thiazolo(32b)(124)triazol2yl)naphthalen2yl)acetate
3((5Z)5((3(3bromo4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)6oxo56dihydro(13)thiazolo(32b)(124)triazol2yl)naphthalen2ylacetate
3(5((3(3BROMO4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLENE)6OXO13THIAZOLIDINO(32D)124TRIAZOL2YL)2NAPHTHYLACETATE
CC(=O)OC1=CC2=CC=CC=C2C=C1C3=NN4C(=O)C(=CC5=CN(N=C5C6=CC(=C(C=C6)OC)Br)C7=CC=CC=C7)SC4=N3
COc1ccc(cc1Br)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1cc2ccccc2cc1OC(=O)C)c1ccccc1
InChI=1SC33H22BrN5O4Sc119(40)43281621976820(21)1425(28)31353339(3731)32(41)29(4433)17231838(24104351124)3630(23)22121327(422)26(34)1522h318H12H3b2917
MFCD03462719
ZINC000097959810
ZINC97959810
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