Vitas-M small molecule compound
(1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-methylbenzoate
Catalog ID
STK133882
SMILES CCN1C(=S)S/C(=C\2/c3cc(cc4c3N(C2=O)C(C)(C)C=C4C)OC(=O)c2ccccc2C)/C1=O
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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 C27H24N2O4S2 MW 504.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O4S2/c1-6-28-24(31)22(35-26(28)34)20-19-12-16(33-25(32)17-10-8-7-9-14(17)2)11-18-15(3)13-27(4,5)29(21(18)19)23(20)30/h7-13H,6H2,1-5H3/b22-20-InChIKey
JXKHRXYHLOXGFX-XDOYNYLZSA-NSynonyms
586984-85-2(1Z)1(3ETHYL4OXO2THIOXO13THIAZOLIDIN5YLIDENE)446TRIMETHYL2OXO12DIHYDRO4HPYRROLO(321IJ)QUINOLIN8YL2METHYLBENZOATE
(Z)1(3ethyl4oxo2thioxothiazolidin5ylidene)446trimethyl2oxo24dihydro1Hpyrrolo(321ij)quinolin8yl2methylbenzoate
586984852
CCN1C(=O)C(=C2C3=CC(=CC4=C3N(C2=O)C(C=C4C)(C)C)OC(=O)C5=CC=CC=C5C)SC1=S
CCN1C(=S)SC(=C2c3cc(cc4c3N(C2=O)C(C)(C)C=C4C)OC(=O)c2ccccc2C)C1=O
InChI=1SC27H24N2O4S2c162824(31)22(3526(28)34)20191216(3325(32)171087914(17)2)111815(3)1327(45)29(21(18)19)23(20)30h713H6H215H3b2220
MFCD03871985
ZINC000002393948
ZINC02393948
ZINC2393948
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