Vitas-M small molecule compound
(5E)-5-[3-methoxy-4-(2-methylpropoxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK816430
SMILES COc1cc(ccc1OCC(C)C)/C=c\1/sc2n(c1=O)ncn2
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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 C16H17N3O3S MW 331.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O3S/c1-10(2)8-22-12-5-4-11(6-13(12)21-3)7-14-15(20)19-16(23-14)17-9-18-19/h4-7,9-10H,8H2,1-3H3/b14-7+InChIKey
ASZQFTIOXBFTFT-VGOFMYFVSA-NSynonyms
(5E)5((3METHOXY4(2METHYLPROPOXY)PHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(3methoxy4(2methylpropoxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CC(C)COC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC=N3)S2)OC
COc1cc(ccc1OCC(C)C)C=c1sc2n(c1=O)ncn2
InChI=1SC16H17N3O3Sc110(2)822125411(613(12)213)71415(20)1916(2314)1791819h47910H8H213H3b147+
MFCD04446050
ZINC000000464869
ZINC00464869
ZINC464869
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