Vitas-M small molecule compound
3-(2-{(1Z,3Z)-2-amino-3-[3-(3-sulfopropyl)-1,3-benzothiazol-2(3H)-ylidene]prop-1-en-1-yl}-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Catalog ID
STK325940
SMILES N/C(=C\c1sc2c([n+]1CCCS(=O)(=O)[O-])cccc2)/C=c/1\sc2c(n1CCCS(=O)(=O)O)cccc2
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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 C23H25N3O6S4 MW 567.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O6S4/c24-17(15-22-25(11-5-13-35(27,28)29)18-7-1-3-9-20(18)33-22)16-23-26(12-6-14-36(30,31)32)19-8-2-4-10-21(19)34-23/h1-4,7-10,15-16,24H,5-6,11-14H2,(H2,27,28,29,30,31,32)/b22-15-InChIKey
UUAZZQHFSVVUDU-JCMHNJIXSA-NSynonyms
3((2Z)2((E)2amino3(3(3sulfopropyl)13benzothiazol3ium2yl)prop2enylidene)13benzothiazol3yl)propane1sulfonate
3((2Z)2((Z)2AMINO3(3(3SULFOPROPYL)13BENZOTHIAZOL3IUM2YL)PROP2ENYLIDENE)13BENZOTHIAZOL3YL)PROPANE1SULFONATE
3(2((1Z3Z)2amino3(3(3sulfopropyl)13benzothiazol2(3H)ylidene)prop1en1yl)13benzothiazol3ium3yl)propane1sulfonate
C1=CC=C2C(=C1)N(C(=CC(=CC3=(N+)(C4=CC=CC=C4S3)CCCS(=O)(=O)O)N)S2)CCCS(=O)(=O)(O)
InChI=1SC23H25N3O6S4c2417(152225(1151335(2728)29)18713920(18)3322)162326(1261436(3031)32)198241021(19)3423h14710151624H561114H2(H2272829303132)b2215
MFCD00624579
NC(=Cc1sc2c((n+)1CCCS(=O)(=O)(O))cccc2)C=c1sc2c(n1CCCS(=O)(=O)O)cccc2
ZINC000028523321
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