Vitas-M small molecule compound
6-{(5Z)-5-[(9-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid
Catalog ID
STK811087
SMILES OC(=O)CCCCCN1C(=S)S/C(=C\c2c(NCCCN3CCOCC3)nc3n(c2=O)cccc3C)/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 C26H33N5O5S2 MW 559.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N5O5S2/c1-18-7-5-12-30-23(18)28-22(27-9-6-10-29-13-15-36-16-14-29)19(24(30)34)17-20-25(35)31(26(37)38-20)11-4-2-3-8-21(32)33/h5,7,12,17,27H,2-4,6,8-11,13-16H2,1H3,(H,32,33)/b20-17-InChIKey
XHYPFHHAWFJRQJ-JZJYNLBNSA-NSynonyms
6((5Z)5((9methyl2((3(morpholin4yl)propyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)5((9METHYL2(3MORPHOLIN4YLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOICACID
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O)NCCCN4CCOCC4
InChI=1SC26H33N5O5S2c11875123023(18)2822(27961029131536161429)19(24(30)34)172025(35)31(26(37)3820)11423821(32)33h57121727H2468111316H21H3(H3233)b2017
MFCD03933102
OC(=O)CCCCCN1C(=S)SC(=Cc2c(NCCCN3CCOCC3)nc3n(c2=O)cccc3C)C1=O
ZINC000008872619
ZINC8872619
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