Vitas-M small molecule compound
6-[(5Z)-5-{[9-methyl-4-oxo-2-(propan-2-ylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Catalog ID
STK817775
SMILES CC(Nc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCCCC(=O)O)C
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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 C22H26N4O4S2 MW 474.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O4S2/c1-13(2)23-18-15(20(29)25-11-7-8-14(3)19(25)24-18)12-16-21(30)26(22(31)32-16)10-6-4-5-9-17(27)28/h7-8,11-13,23H,4-6,9-10H2,1-3H3,(H,27,28)/b16-12-InChIKey
LRMMMQLCOJOWGO-VBKFSLOCSA-NSynonyms
6((5Z)5((9methyl4oxo2(propan2ylamino)4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)5((9methyl4oxo2(propan2ylamino)pyrido(12a)pyrimidin3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)hexanoicacid
CC(Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)CCCCCC(=O)O)C
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O)NC(C)C
InChI=1SC22H26N4O4S2c113(2)231815(20(29)25117814(3)19(25)2418)121621(30)26(22(31)3216)10645917(27)28h78111323H46910H213H3(H2728)b1612
MFCD04447571
ZINC000016736484
ZINC16736484
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