Vitas-M small molecule compound
3-(5-{(E)-[4-iminio-8-(methylsulfonyl)-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STK597059
SMILES O=C1N=c2sc3c(n2C(=[NH2+])/C/1=C\c1ccc(o1)c1cccc(c1)C(=O)[O-])ccc(c3)S(=O)(=O)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 C23H15N3O6S2 MW 493.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15N3O6S2/c1-34(30,31)15-6-7-17-19(11-15)33-23-25-21(27)16(20(24)26(17)23)10-14-5-8-18(32-14)12-3-2-4-13(9-12)22(28)29/h2-11,24H,1H3,(H,28,29)/b16-10+,24-20?InChIKey
XDKHIYMTLYWMNU-HCNNPVLLSA-NSynonyms
3(5((E)(4iminio8(methylsulfonyl)2oxo2Hpyrimido(21b)(13)benzothiazol3(4H)ylidene)methyl)furan2yl)benzoate
3(5((E)(4IMINO8METHYLSULFONYL2OXOPYRIMIDO(21B)(13)BENZOTHIAZOL3YLIDENE)METHYL)FURAN2YL)BENZOICACID
CS(=O)(=O)C1=CC2=C(C=C1)N3C(=N)C(=CC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)C(=O)N=C3S2
InChI=1SC23H15N3O6S2c134(3031)15671719(1115)33232521(27)16(20(24)26(17)23)10145818(3214)1232413(912)22(28)29h21124H1H3(H2829)b1610+2420?
MFCD06604571
O=C1N=c2sc3c(n2C(=(NH2+))C1=Cc1ccc(o1)c1cccc(c1)C(=O)(O))ccc(c3)S(=O)(=O)C
ZINC000020519221
ZINC20519221
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