Vitas-M small molecule compound
(3Z)-1-benzyl-5-bromo-3-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one
Catalog ID
STK814927
SMILES COc1ccc(cc1)CCN1C(=S)S/C(=C/2\C(=O)N(c3c2cc(Br)cc3)Cc2ccccc2)/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 C27H21BrN2O3S2 MW 565.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrN2O3S2/c1-33-20-10-7-17(8-11-20)13-14-29-26(32)24(35-27(29)34)23-21-15-19(28)9-12-22(21)30(25(23)31)16-18-5-3-2-4-6-18/h2-12,15H,13-14,16H2,1H3/b24-23-InChIKey
NDAZRCLKSMVMIU-VHXPQNKSSA-NSynonyms
(3Z)1benzyl5bromo3(3(2(4methoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)13dihydro2Hindol2one
(5Z)5(1BENZYL5BROMO2OXOINDOL3YLIDENE)3(2(4METHOXYPHENYL)ETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
COC1=CC=C(C=C1)CCN2C(=O)C(=C3C4=C(C=CC(=C4)Br)N(C3=O)CC5=CC=CC=C5)SC2=S
COc1ccc(cc1)CCN1C(=S)SC(=C2C(=O)N(c3c2cc(Br)cc3)Cc2ccccc2)C1=O
InChI=1SC27H21BrN2O3S2c1332010717(81120)13142926(32)24(3527(29)34)23211519(28)91222(21)30(25(23)31)16185324618h21215H131416H21H3b2423
MFCD03535567
ZINC000100893046
ZINC100893046
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