Vitas-M small molecule compound

11-[(5Z)-5-(1-{2-[(3-bromophenyl)amino]-2-oxoethyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid

Catalog ID
STK702729
SMILES O=C(CN1C(=O)/C(=C/2\SC(=S)N(C2=O)CCCCCCCCCCC(=O)O)/c2c1cccc2)Nc1cccc(c1)Br

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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 C30H32BrN3O5S2 MW 658.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32BrN3O5S2/c31-20-12-11-13-21(18-20)32-24(35)19-34-23-15-9-8-14-22(23)26(28(34)38)27-29(39)33(30(40)41-27)17-10-6-4-2-1-3-5-7-16-25(36)37/h8-9,11-15,18H,1-7,10,16-17,19H2,(H,32,35)(H,36,37)/b27-26-
InChIKey
BSVAGEXHPICVKY-RQZHXJHFSA-N
Synonyms

(Z)11(5(1(2((3bromophenyl)amino)2oxoethyl)2oxoindolin3ylidene)4oxo2thioxothiazolidin3yl)undecanoicacid
11((5Z)5(1(2((3bromophenyl)amino)2oxoethyl)2oxo12dihydro3Hindol3ylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5(1(2(3BROMOANILINO)2OXOETHYL)2OXOINDOL3YLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
C1=CC=C2C(=C1)C(=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C(=O)N2CC(=O)NC4=CC(=CC=C4)Br
InChI=1SC30H32BrN3O5S2c312012111321(1820)3224(35)19342315981422(23)26(28(34)38)2729(39)33(30(40)4127)171064213571625(36)37h89111518H1710161719H2(H3235)(H3637)b2726
MFCD02987991
O=C(CN1C(=O)C(=C2SC(=S)N(C2=O)CCCCCCCCCCC(=O)O)c2c1cccc2)Nc1cccc(c1)Br
ZINC000097946090
ZINC97946090

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Available files

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