Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxo-5-[3-(2-oxopyrrolidin-1-yl)propyl]-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate
Catalog ID
STL058656
SMILES O=C1CCCN1CCCn1c([O-])cc2c(c1C)c(=O)n(n2)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 C21H20N5O3S MW 422.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3S/c1-13-19-15(12-18(28)25(13)11-5-10-24-9-4-8-17(24)27)23-26(20(19)29)21-22-14-6-2-3-7-16(14)30-21/h2-3,6-7,12,28H,4-5,8-11H2,1H3/p-1InChIKey
WXIVRVJMXWKSEN-UHFFFAOYSA-MSynonyms
2(13benzothiazol2yl)4methyl3oxo5(3(2oxopyrrolidin1yl)propyl)35dihydro2Hpyrazolo(43c)pyridin6olate
2(13benzothiazol2yl)4methyl3oxo5(3(2oxopyrrolidin1yl)propyl)pyrazolo(43c)pyridin6olate
CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CCCN5CCCC5=O)(O)
InChI=1SC21H21N5O3Sc1131915(1218(28)25(13)115102494817(24)27)2326(20(19)29)212214623716(14)3021h23671228H45811H21H3p1
O=C1CCCN1CCCn1c((O))cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2
O=C1CCCN1CCCn1c((O))cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2(Na+)
sodium2(benzo(d)thiazol2yl)4methyl3oxo5(3(2oxopyrrolidin1yl)propyl)35dihydro2Hpyrazolo(43c)pyridin6olate
ZINC000012389657
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