Vitas-M small molecule compound

dimethyl 5-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzene-1,3-dicarboxylate

Catalog ID
STK143156
SMILES CCCC1=NN(C(=O)/C/1=C(\Nc1cc(cc(c1)C(=O)OC)C(=O)OC)/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 C25H24N4O5S MW 492.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O5S/c1-5-8-19-21(22(30)29(28-19)25-27-18-9-6-7-10-20(18)35-25)14(2)26-17-12-15(23(31)33-3)11-16(13-17)24(32)34-4/h6-7,9-13,26H,5,8H2,1-4H3/b21-14-
InChIKey
GYERXLZTPNRLGL-STZFKDTASA-N
Synonyms

(Z)dimethyl5((1(1(benzo(d)thiazol2yl)5oxo3propyl1Hpyrazol4(5H)ylidene)ethyl)amino)isophthalate
CCCC1=NN(C(=O)C1=C(C)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C3=NC4=CC=CC=C4S3
CCCC1=NN(C(=O)C1=C(Nc1cc(cc(c1)C(=O)OC)C(=O)OC)C)c1nc2c(s1)cccc2
DIMETHYL5(((1E)1(1(13BENZOTHIAZOL2YL)5HYDROXY3PROPYL1HPYRAZOL4YL)ETHYLIDENE)AMINO)BENZENE13DICARBOXYLATE
DIMETHYL5(((1Z)1(1(13BENZOTHIAZOL2YL)5OXO3PROPYL15DIHYDRO4HPYRAZOL4YLIDENE)ETHYL)AMINO)BENZENE13DICARBOXYLATE
DIMETHYL5(((1Z)1(1(13BENZOTHIAZOL2YL)5OXO3PROPYLPYRAZOL4YLIDENE)ETHYL)AMINO)BENZENE13DICARBOXYLATE
InChI=1SC25H24N4O5Sc1581921(22(30)29(2819)2527189671020(18)3525)14(2)26171215(23(31)333)1116(1317)24(32)344h6791326H58H214H3b2114
METHYL5(((1BENZOTHIAZOL2YL5OXO3PROPYL(12DIAZOLIN4YLIDENE))ETHYL)AMINO)3(METHOXYCARBONYL)BENZOATE
MFCD03144724
ZINC000100423362
ZINC100423362

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Available files

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