Vitas-M small molecule compound

4-tert-butylphenyl 3-chloro-1-benzothiophene-2-carboxylate

Catalog ID
STK006155
SMILES O=C(c1sc2c(c1Cl)cccc2)Oc1ccc(cc1)C(C)(C)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 C19H17ClO2S MW 344.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClO2S/c1-19(2,3)12-8-10-13(11-9-12)22-18(21)17-16(20)14-6-4-5-7-15(14)23-17/h4-11H,1-3H3
InChIKey
MRBNXEYXXHLLIH-UHFFFAOYSA-N
Synonyms

(4TERTBUTYLPHENYL)3CHLORO1BENZOTHIOPHENE2CARBOXYLATE
4(TERTBUTYL)PHENYL3CHLOROBENZO(B)THIOPHENE2CARBOXYLATE
4TERTBUTYLPHENYL3CHLORO1BENZOTHIOPHENE2CARBOXYLATE
CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl
InChI=1SC19H17ClO2Sc119(23)1281013(11912)2218(21)1716(20)14645715(14)2317h411H13H3
MFCD02857118
O=C(c1sc2c(c1Cl)cccc2)Oc1ccc(cc1)C(C)(C)C
STK006155
ZINC000002134628
ZINC02134628
ZINC2134628

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Available files

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