Vitas-M small molecule compound
2-methyl-3-{5-[(Z)-{7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-6-[(propan-2-yloxy)carbonyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene}methyl]furan-2-yl}benzoic acid
Catalog ID
STK100548
SMILES CSc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc(o1)c1cccc(c1C)C(=O)O)/s2)C(=O)OC(C)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 C31H28N2O6S2 MW 588.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O6S2/c1-16(2)38-30(37)26-18(4)32-31-33(27(26)19-9-12-21(40-5)13-10-19)28(34)25(41-31)15-20-11-14-24(39-20)22-7-6-8-23(17(22)3)29(35)36/h6-16,27H,1-5H3,(H,35,36)/b25-15-InChIKey
IGODYQFTAVXBJI-MYYYXRDXSA-NSynonyms
2METHYL3(5((Z)(7METHYL5(4(METHYLSULFANYL)PHENYL)3OXO6((PROPAN2YLOXY)CARBONYL)5H(13)THIAZOLO(32A)PYRIMIDIN2(3H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
2methyl3(5((Z)(7methyl5(4methylsulfanylphenyl)3oxo6propan2yloxycarbonyl5H(13)thiazolo(32a)pyrimidin2ylidene)methyl)furan2yl)benzoicacid
CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC(C)C)C5=CC=C(C=C5)SC
CSc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(o1)c1cccc(c1C)C(=O)O)s2)C(=O)OC(C)C
InChI=1SC31H28N2O6S2c116(2)3830(37)2618(4)323133(27(26)1991221(405)131019)28(34)25(4131)1520111424(3920)2276823(17(22)3)29(35)36h61627H15H3(H3536)b2515
MFCD08679501
ZINC000097959487
ZINC000097959488
Check stock
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Check stock on Vitas-MAvailable files
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