Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK207129
SMILES CCO/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)C)/CC
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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 C16H17N3O2S MW 315.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O2S/c1-4-12(21-5-2)14-10(3)18-19(15(14)20)16-17-11-8-6-7-9-13(11)22-16/h6-9H,4-5H2,1-3H3/b14-12-InChIKey
AFDOWMZOLHXMQS-OWBHPGMISA-NSynonyms
(4Z)2(13benzothiazol2yl)4(1ethoxypropylidene)5methyl24dihydro3Hpyrazol3one
(4Z)2(13benzothiazol2yl)4(1ethoxypropylidene)5methylpyrazol3one
1BENZOTHIAZOL2YL4(ETHOXYPROPYLIDENE)3METHYL12DIAZOLIN5ONE
CCC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C)OCC
CCOC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)C)CC
InChI=1SC16H17N3O2Sc1412(2152)1410(3)1819(15(14)20)161711867913(11)2216h69H45H213H3b1412
MFCD06191766
ZINC000009972227
ZINC09972227
ZINC9972227
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