Vitas-M small molecule compound
3-(2-{(1E,3E)-3-[1-(3-sulfopropyl)naphtho[1,2-d][1,3]thiazol-2(1H)-ylidene]prop-1-en-1-yl}thieno[3,2-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate
Catalog ID
STK377888
SMILES [O-]S(=O)(=O)CCC[n+]1c(/C=C/C=c\2/sc3c(n2CCCS(=O)(=O)O)c2ccccc2cc3)sc2c1c1ccsc1cc2
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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 C29H26N2O6S5 MW 658.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O6S5/c32-41(33,34)18-4-15-30-26(39-24-11-10-20-6-1-2-7-21(20)28(24)30)8-3-9-27-31(16-5-19-42(35,36)37)29-22-14-17-38-23(22)12-13-25(29)40-27/h1-3,6-14,17H,4-5,15-16,18-19H2,(H-,32,33,34,35,36,37)InChIKey
PKZDVOWGHPECRO-UHFFFAOYSA-NSynonyms
(O)S(=O)(=O)CCC(n+)1c(C=CC=c2sc3c(n2CCCS(=O)(=O)O)c2ccccc2cc3)sc2c1c1ccsc1cc2
3(2((1E3E)3(1(3sulfopropyl)naphtho(12d)(13)thiazol2(1H)ylidene)prop1en1yl)thieno(32e)(13)benzothiazol1ium1yl)propane1sulfonate
3(2(3(1(3SULFOPROPYL)BENZO(E)(13)BENZOTHIAZOL2YLIDENE)PROP1ENYL)THIENO(32E)(13)BENZOTHIAZOL1IUM1YL)PROPANE1SULFONATE
C1=CC=C2C(=C1)C=CC3=C2N(C(=CC=CC4=(N+)(C5=C(S4)C=CC6=C5C=CS6)CCCS(=O)(=O)(O))S3)CCCS(=O)(=O)O
InChI=1SC29H26N2O6S5c3241(3334)184153026(3924111020612721(20)28(24)30)8392731(1651942(3536)37)292214173823(22)121325(29)4027h1361417H4515161819H2(H323334353637)
MFCD11853175
ZINC000004048206
Check stock
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Check stock on Vitas-MAvailable files
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