Vitas-M small molecule compound
3-{(Z)-[5-iminio-7-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-4-oxo-4H-chromen-6-olate
Catalog ID
STK585276
SMILES [O-]c1ccc2c(c1)c(=O)c(co2)/C=C/1\C(=O)N=c2n(C1=[NH2+])nc(s2)C(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 C18H14N4O4S MW 382.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N4O4S/c1-8(2)17-21-22-15(19)12(16(25)20-18(22)27-17)5-9-7-26-13-4-3-10(23)6-11(13)14(9)24/h3-8,19,23H,1-2H3/b12-5-,19-15?InChIKey
KLEYHGKXWKMSIH-RKOORORLSA-NSynonyms
(6Z)6((6HYDROXY4OXOCHROMEN3YL)METHYLIDENE)5IMINO2PROPAN2YL(134)THIADIAZOLO(32A)PYRIMIDIN7ONE
(O)c1ccc2c(c1)c(=O)c(co2)C=C1C(=O)N=c2n(C1=(NH2+))nc(s2)C(C)C
3((Z)(5iminio7oxo2(propan2yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)4oxo4Hchromen6olate
CC(C)C1=NN2C(=N)C(=CC3=COC4=C(C3=O)C=C(C=C4)O)C(=O)N=C2S1
InChI=1SC18H14N4O4Sc18(2)17212215(19)12(16(25)2018(22)2717)59726134310(23)611(13)14(9)24h381923H12H3b1251915?
MFCD06600235
ZINC000005390561
ZINC05390561
ZINC5390561
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