Vitas-M small molecule compound
dimethyl 2-(2,2-dimethyl-3-thioxo-6-trityl-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK508539
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(ccc3NC(C2=S)(C)C)C(c2ccccc2)(c2ccccc2)c2ccccc2)/S1)C(=O)OC
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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 C37H31NO4S3 MW 649.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H31NO4S3/c1-36(2)32(43)29(35-44-30(33(39)41-3)31(45-35)34(40)42-4)27-22-26(20-21-28(27)38-36)37(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-22,38H,1-4H3InChIKey
MIIPVQPMSRSSSD-UHFFFAOYSA-NSynonyms
303179-72-8303179728
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1)C=CC(=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C
COC(=O)C1=C(SC(=C2c3cc(ccc3NC(C2=S)(C)C)C(c2ccccc2)(c2ccccc2)c2ccccc2)S1)C(=O)OC
DIMETHYL2(22DIMETHYL3SULFANYLIDENE6TRITYL1HQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(22dimethyl3thioxo6trityl23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC37H31NO4S3c136(2)32(43)29(354430(33(39)413)31(4535)34(40)424)272226(202128(27)3836)37(231485915232416106111724)2518127131925h52238H14H3
MFCD01051546
ZINC000008395916
ZINC08395916
ZINC8395916
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