Vitas-M small molecule compound

methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-5-oxo-4-(1-{[3-(propan-2-yloxy)propyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate

Catalog ID
STK231965
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\NCCCOC(C)C)/C)c1nc2c(s1)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 C21H26N4O4S MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O4S/c1-13(2)29-11-7-10-22-14(3)19-16(12-18(26)28-4)24-25(20(19)27)21-23-15-8-5-6-9-17(15)30-21/h5-6,8-9,13,22H,7,10-12H2,1-4H3/b19-14-
InChIKey
JBSNQXBNMGQNSS-RGEXLXHISA-N
Synonyms

CC(C)OCCCNC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)C
COC(=O)CC1=NN(C(=O)C1=C(NCCCOC(C)C)C)c1nc2c(s1)cccc2
InChI=1SC21H26N4O4Sc113(2)29117102214(3)1916(1218(26)284)2425(20(19)27)212315856917(15)3021h56891322H71012H214H3b1914
methyl((4Z)1(13benzothiazol2yl)5oxo4(1((3(propan2yloxy)propyl)amino)ethylidene)45dihydro1Hpyrazol3yl)acetate
METHYL2((4Z)1(13BENZOTHIAZOL2YL)5OXO4(1(3PROPAN2YLOXYPROPYLAMINO)ETHYLIDENE)PYRAZOL3YL)ACETATE
METHYL2(1BENZOTHIAZOL2YL4(((3(METHYLETHOXY)PROPYL)AMINO)ETHYLIDENE)5OXO12DIAZOLIN3YL)ACETATE
MFCD07792731
ZINC000018222339
ZINC18222339

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Available files

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