Vitas-M small molecule compound

(2Z)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

Catalog ID
STK843757
SMILES N#C/C(=C/c1cc(OC)c(c(c1)OC)OC)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

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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 C21H17N3O5S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5S/c1-27-18-8-13(9-19(28-2)20(18)29-3)7-15(11-22)21-23-17(12-30-21)14-5-4-6-16(10-14)24(25)26/h4-10,12H,1-3H3/b15-7-
InChIKey
SHTNESXHPYZIPE-CHHVJCJISA-N
Synonyms
683250-82-0
(2Z)2(4(3nitrophenyl)13thiazol2yl)3(345trimethoxyphenyl)prop2enenitrile
(Z)2(4(3nitrophenyl)13thiazol2yl)3(345trimethoxyphenyl)prop2enenitrile
(Z)2(4(3nitrophenyl)thiazol2yl)3(345trimethoxyphenyl)acrylonitrile
683250820
COC1=CC(=CC(=C1OC)OC)C=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC21H17N3O5Sc12718813(919(282)20(18)293)715(1122)212317(123021)1454616(1014)24(25)26h41012H13H3b157
MFCD03673098
N#CC(=Cc1cc(OC)c(c(c1)OC)OC)c1scc(n1)c1cccc(c1)(N+)(=O)(O)
ZINC000009075792
ZINC09075792
ZINC9075792

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Available files

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