Vitas-M small molecule compound
(5Z)-5-{1-acetyl-5-[4-(dimethylamino)phenyl]pyrazolidin-3-ylidene}-6-hydroxy-3-(3-methoxypropyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK615541
SMILES COCCCN1C(=O)N=C(/C(=C\2/NN(C(C2)c2ccc(cc2)N(C)C)C(=O)C)/C1=O)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 C21H27N5O5 MW 429.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O5/c1-13(27)26-17(14-6-8-15(9-7-14)24(2)3)12-16(23-26)18-19(28)22-21(30)25(20(18)29)10-5-11-31-4/h6-9,17,23H,5,10-12H2,1-4H3,(H,22,28,30)/b18-16-InChIKey
XHVFQTSANHKVEN-VLGSPTGOSA-NSynonyms
(5Z)5(1acetyl5(4(dimethylamino)phenyl)pyrazolidin3ylidene)1(3methoxypropyl)13diazinane246trione
(5Z)5(1acetyl5(4(dimethylamino)phenyl)pyrazolidin3ylidene)6hydroxy3(3methoxypropyl)pyrimidine24(3H5H)dione
CC(=O)N1C(CC(=C2C(=O)NC(=O)N(C2=O)CCCOC)N1)C3=CC=C(C=C3)N(C)C
COCCCN1C(=O)N=C(C(=C2NN(C(C2)c2ccc(cc2)N(C)C)C(=O)C)C1=O)O
InChI=1SC21H27N5O5c113(27)2617(146815(9714)24(2)3)1216(2326)1819(28)2221(30)25(20(18)29)10511314h691723H51012H214H3(H222830)b1816
MFCD07798445
ZINC000009130198
ZINC000013592106
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