Vitas-M small molecule compound

5-[1-(3-chlorophenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK443209
SMILES C=CCn1c(S)nnc1C(Oc1cccc(c1)Cl)C

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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 C13H14ClN3OS MW 295.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14ClN3OS/c1-3-7-17-12(15-16-13(17)19)9(2)18-11-6-4-5-10(14)8-11/h3-6,8-9H,1,7H2,2H3,(H,16,19)
InChIKey
VRSMSCVGAYKVFE-UHFFFAOYSA-N
Synonyms
667414-14-4
3(1(3CHLOROPHENOXY)ETHYL)4PROP2ENYL1H124TRIAZOLE5THIONE
4ALLYL5(1(3CHLOROPHENOXY)ETHYL)4H124TRIAZOLE3THIOL
5((3CHLOROPHENOXY)ETHYL)4PROP2ENYL124TRIAZOLE3THIOL
5(1(3CHLOROPHENOXY)ETHYL)4(PROP2EN1YL)124TRIAZOLE3THIOL
5(1(3chlorophenoxy)ethyl)4(prop2en1yl)4H124triazole3thiol
667414144
CC(C1=NNC(=S)N1CC=C)OC2=CC(=CC=C2)Cl
InChI=1SC13H14ClN3OSc1371712(151613(17)19)9(2)181164510(14)811h3689H17H22H3(H1619)
MFCD04054708
ZINC000002526653
ZINC000006525428

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Available files

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