Vitas-M small molecule compound
(5Z)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK514515
SMILES COc1ccc(cc1C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2)c1ccccc1
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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 C30H23N5O4S MW 549.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23N5O4S/c1-18-14-19(12-13-22(18)37-2)27-20(16-34(32-27)21-8-4-3-5-9-21)15-26-29(36)35-30(40-26)31-28(33-35)25-17-38-23-10-6-7-11-24(23)39-25/h3-16,25H,17H2,1-2H3/b26-15-InChIKey
XZYFCTGJBHDMFW-YSMPRRRNSA-NSynonyms
(5Z)2(23dihydro14benzodioxin2yl)5((3(4methoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(23DIHYDRO14BENZODIOXIN3YL)5((3(4METHOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5COC6=CC=CC=C6O5)S3)C7=CC=CC=C7)OC
COc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2)c1ccccc1
InChI=1SC30H23N5O4Sc1181419(121322(18)372)2720(1634(3227)218435921)152629(36)3530(4026)3128(3335)2517382310671124(23)3925h31625H17H212H3b2615
MFCD03534656
ZINC000098046300
ZINC000098046301
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