Vitas-M small molecule compound
methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-{1-[(tetrahydrofuran-2-ylmethyl)amino]ethylidene}-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STK234769
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\NCC1CCCO1)/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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c1-12(21-11-13-6-5-9-28-13)18-15(10-17(25)27-2)23-24(19(18)26)20-22-14-7-3-4-8-16(14)29-20/h3-4,7-8,13,21H,5-6,9-11H2,1-2H3/b18-12-InChIKey
IUCGFQPQSLRQSM-PDGQHHTCSA-NSynonyms
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)NCC4CCCO4
InChI=1SC20H22N4O4Sc112(2111136592813)1815(1017(25)272)2324(19(18)26)202214734816(14)2920h34781321H56911H212H3b1812
methyl((4Z)1(13benzothiazol2yl)5oxo4(1((tetrahydrofuran2ylmethyl)amino)ethylidene)45dihydro1Hpyrazol3yl)acetate
METHYL2((4Z)1(13BENZOTHIAZOL2YL)5OXO4(1(OXOLAN2YLMETHYLAMINO)ETHYLIDENE)PYRAZOL3YL)ACETATE
METHYL2(1BENZOTHIAZOL2YL5OXO4(((OXOLAN2YLMETHYL)AMINO)ETHYLIDENE)12DIAZOLIN3YL)ACETATE
MFCD07792742
ZINC000004999652
ZINC000004999653
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