Vitas-M small molecule compound
[(5Z)-5-{[2-(4-carbamoylpiperidin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK800415
SMILES OC(=O)CN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCC(CC2)C(=O)N)/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 C21H21N5O5S2 MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O5S2/c1-11-2-3-15-23-18(24-6-4-12(5-7-24)17(22)29)13(19(30)25(15)9-11)8-14-20(31)26(10-16(27)28)21(32)33-14/h2-3,8-9,12H,4-7,10H2,1H3,(H2,22,29)(H,27,28)/b14-8-InChIKey
VITFWTMYLRPAER-ZSOIEALJSA-NSynonyms
((5Z)5((2(4carbamoylpiperidin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((2(4CARBAMOYLPIPERIDIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC(=O)O)N4CCC(CC4)C(=O)N)C=C1
InChI=1SC21H21N5O5S2c11123152318(246412(5724)17(22)29)13(19(30)25(15)911)81420(31)26(1016(27)28)21(32)3314h238912H4710H21H3(H22229)(H2728)b148
MFCD04447110
OC(=O)CN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCC(CC2)C(=O)N)C1=O
ZINC000016735669
ZINC16735669
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