Vitas-M small molecule compound
3-(5-{(Z)-[2-(benzylsulfanyl)-5-iminio-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STK559759
SMILES O=C1N=c2sc(nn2C(=[NH2+])/C/1=C/c1ccc(o1)c1cccc(c1)C(=O)[O-])SCc1ccccc1
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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 C24H16N4O4S2 MW 488.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16N4O4S2/c25-20-18(12-17-9-10-19(32-17)15-7-4-8-16(11-15)22(30)31)21(29)26-23-28(20)27-24(34-23)33-13-14-5-2-1-3-6-14/h1-12,25H,13H2,(H,30,31)/b18-12-,25-20?InChIKey
NAOMUTGIALXJCJ-QDLOHUEYSA-NSynonyms
3(5((Z)(2(benzylsulfanyl)5iminio7oxo5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
3(5((Z)(2BENZYLSULFANYL5IMINO7OXO(134)THIADIAZOLO(32A)PYRIMIDIN6YLIDENE)METHYL)FURAN2YL)BENZOICACID
C1=CC=C(C=C1)CSC2=NN3C(=N)C(=CC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)C(=O)N=C3S2
InChI=1SC24H16N4O4S2c252018(121791019(3217)1574816(1115)22(30)31)21(29)262328(20)2724(3423)3313145213614h11225H13H2(H3031)b18122520?
MFCD03255262
O=C1N=c2sc(nn2C(=(NH2+))C1=Cc1ccc(o1)c1cccc(c1)C(=O)(O))SCc1ccccc1
ZINC000009460881
ZINC9460881
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