Vitas-M small molecule compound
methyl [(4Z)-4-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-1-(1,3-benzothiazol-2-yl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STK207123
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\NCc1ccc2c(c1)OCO2)/C)c1nc2c(s1)cccc2
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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 C23H20N4O5S MW 464.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O5S/c1-13(24-11-14-7-8-17-18(9-14)32-12-31-17)21-16(10-20(28)30-2)26-27(22(21)29)23-25-15-5-3-4-6-19(15)33-23/h3-9,24H,10-12H2,1-2H3/b21-13-InChIKey
XVIBEVAJBUNABY-BKUYFWCQSA-NSynonyms
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)NCC4=CC5=C(C=C4)OCO5
COC(=O)CC1=NN(C(=O)C1=C(NCc1ccc2c(c1)OCO2)C)c1nc2c(s1)cccc2
InChI=1SC23H20N4O5Sc113(241114781718(914)32123117)2116(1020(28)302)2627(22(21)29)232515534619(15)3323h3924H1012H212H3b2113
methyl((4Z)4(1((13benzodioxol5ylmethyl)amino)ethylidene)1(13benzothiazol2yl)5oxo45dihydro1Hpyrazol3yl)acetate
methyl2((4Z)4(1(13benzodioxol5ylmethylamino)ethylidene)1(13benzothiazol2yl)5oxopyrazol3yl)acetate
METHYL2(4(((2HBENZO(34D)13DIOXOLAN5YLMETHYL)AMINO)ETHYLIDENE)1BENZOTHIAZOL2YL5OXO12DIAZOLIN3YL)ACETATE
MFCD06191787
ZINC000009972225
ZINC09972225
ZINC9972225
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